<div dir="ltr"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">dear sir ,</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">dear sir ,</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">i was running epw for graphene and the output of epw file is consisting with either zero or infinity(*) . please help me in resolving this issue </span><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><a href="http://epw.in">epw.in</a> and epw.out are attached below</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><a href="http://epw.in">epw.in</a>(input file):</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">--</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">&inputepw</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">prefix = 'calc'</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">amass(1) = 12.01078</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">outdir = './'</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">iverbosity = 0</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">elph = .true.</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">epbwrite = .true.</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">epbread = .false.</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">epwwrite = .true.</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">epwread = .false.</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">nbndsub = 4</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">nbndskip = 0</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">wannierize = .true.</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">num_iter = 300</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">iprint = 2</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">dis_win_max = 12</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">dis_froz_max= 7</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">proj(1) = 'f=0,0,0:l=-3' </span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">elecselfen = .false.</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">phonselfen = .true.</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">a2f = .true.</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">parallel_k = .true.</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">parallel_q = .false.</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">fsthick = 1.36056981 ! eV </span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">eptemp = 300 ! K (same as PRB 76, 165108)</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">degaussw = 0.1 ! eV</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">dvscf_dir = './save'</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">filukk = './calc.ukk'</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">filqf = 'meshes/path.dat'</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">nkf1 = 50</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">nkf2 = 50</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">nkf3 = 50</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">nk1 = 6</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">nk2 = 6</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">nk3 = 6</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">nq1 = 6</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">nq2 = 6</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">nq3 = 6</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">/</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">28 cartesian</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">0.000000000 0.000000000 0.000000000 0.0092593</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">0.000000000 0.000000000 0.061141750 0.0740741</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">0.000000000 0.000000000 0.122283500 0.0740741</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">0.000000000 0.000000000 -0.183425250 0.0370370</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">0.000000000 0.192450090 0.000000000 0.0555556</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">0.000000000 0.192450090 0.061141750 0.0046296</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">0.000000000 0.192450090 0.122283500 0.0046296</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">0.000000000 0.192450090 -0.183425250 0.0046296</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">0.000000000 0.384900179 0.000000000 0.1111111</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">0.000000000 0.384900179 0.061141750 0.0555556</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">0.000000000 0.384900179 0.122283500 0.0046296</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">0.000000000 0.384900179 -0.183425250 0.1111111</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">0.000000000 -0.577350269 0.000000000 0.0277778</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">0.000000000 -0.577350269 0.061141750 0.2222222</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">0.000000000 -0.577350269 0.122283500 0.2222222</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">0.000000000 -0.577350269 -0.183425250 0.1111111</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">0.166666667 0.288675135 0.000000000 0.0555556</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">0.166666667 0.288675135 0.061141750 0.2222222</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">0.166666667 0.288675135 0.122283500 0.0046296</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">0.166666667 0.288675135 -0.183425250 0.2222222</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">0.166666667 0.481125224 0.000000000 0.1111111</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">0.166666667 0.481125224 0.061141750 0.0555556</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">0.166666667 0.481125224 0.122283500 0.0046296</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">0.166666667 0.481125224 -0.183425250 0.1111111</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">0.333333333 0.577350269 0.000000000 0.0277778</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">0.333333333 0.577350269 0.061141750 0.0277778</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">0.333333333 0.577350269 0.122283500 0.1111111</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">0.333333333 0.577350269 -0.183425250 0.1111111</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><strong style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">OUTPUTFILE:(EPW.OUT)</strong><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">IMPORTANT: XC functional enforced from input :</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Exchange-correlation = PBE ( 1 4 3 4 0 0)</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Any further DFT definition will be discarded</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Please, verify this is what you really want</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">G-vector sticks info</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">--------------------</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">sticks: dense smooth PW G-vecs: dense smooth PW</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Sum 361 361 151 14967 14967 4067</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Possibly too few bands at point 1 0.00000 0.00000 0.00000</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Possibly too few bands at point 2 0.00000 0.00000 0.06114</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Possibly too few bands at point 3 0.00000 0.00000 0.12228</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Possibly too few bands at point 4 0.00000 0.00000 0.18343</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Possibly too few bands at point 5 0.00000 0.00000 0.24457</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">.</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">.</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">.</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">.</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">.</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">.</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Possibly too few bands at point 213 0.83333 1.44338 0.12228</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Possibly too few bands at point 214 0.83333 1.44338 0.18343</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Possibly too few bands at point 215 0.83333 1.44338 0.24457</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Possibly too few bands at point 216 0.83333 1.44338 0.30571</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">-- </span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">bravais-lattice index = 4</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">lattice parameter (a_0) = 4.6510 a.u.</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">unit-cell volume = 237.5083 (a.u.)^3</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">number of atoms/cell = 2</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">number of atomic types = 1</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">kinetic-energy cut-off = 60.0000 Ry</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">charge density cut-off = 240.0000 Ry</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">convergence threshold = 0.0E+00</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">beta = 0.0000</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">number of iterations used = 0</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Exchange-correlation = PBE ( 1 4 3 4 0 0)</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">celldm(1)= 4.65099 celldm(2)= 0.00000 celldm(3)= 2.72591</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">celldm(4)= 0.00000 celldm(5)= 0.00000 celldm(6)= 0.00000</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">crystal axes: (cart. coord. in units of a_0)</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">a(1) = ( 1.0000 0.0000 0.0000 ) </span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">a(2) = ( -0.5000 0.8660 0.0000 ) </span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">a(3) = ( 0.0000 0.0000 2.7259 ) </span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">reciprocal axes: (cart. coord. in units 2 pi/a_0)</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">b(1) = ( 1.0000 0.5774 -0.0000 ) </span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">b(2) = ( 0.0000 1.1547 0.0000 ) </span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">b(3) = ( 0.0000 -0.0000 0.3669 ) </span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Atoms inside the unit cell: </span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Cartesian axes</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">site n. atom mass positions (a_0 units)</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">1 C 12.0117 tau( 1) = ( 0.00000 0.00000 0.00000 )</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">2 C 12.0117 tau( 2) = ( 0.50000 0.28868 0.00000 )</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">25 Sym.Ops. (with q -> -q+G )</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">G cutoff = 131.5052 ( 14967 G-vectors) FFT grid: ( 24, 24, 64)</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">number of k points= 216 gaussian broad. (Ry)= 0.0020 ngauss = 1</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">cart. coord. in units 2pi/a_0</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0092593</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">k( 2) = ( 0.0000000 0.0000000 0.0611417), wk = 0.0092593</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">k( 3) = ( 0.0000000 0.0000000 0.1222835), wk = 0.0092593</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">k( 4) = ( 0.0000000 0.0000000 0.1834252), wk = 0.0092593</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">.</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">.</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">.</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">k( 213) = ( 0.8333333 1.4433757 0.1222835), wk = 0.0092593</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">k( 214) = ( 0.8333333 1.4433757 0.1834252), wk = 0.0092593</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">k( 215) = ( 0.8333333 1.4433757 0.2445670), wk = 0.0092593</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">k( 216) = ( 0.8333333 1.4433757 0.3057087), wk = 0.0092593</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">PseudoPot. # 1 for C read from file:</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">./C_PBE.upf</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">MD5 check sum: 1855aba68576a64e9880cc2bac33c309</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Pseudo is Norm-conserving, Zval = 4.0</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Generated using ONCVPSP code by D. R. Hamann</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Using radial grid of 1248 points, 4 beta functions with: </span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">l(1) = 0</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">l(2) = 0</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">l(3) = 1</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">l(4) = 1</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">EPW : 0.93s CPU 1.09s WALL</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">EPW : 1.78s CPU 1.97s WALL</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">No wavefunction gauge setting applied</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">-------------------------------------------------------------------</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Wannierization on 6 x 6 x 6 electronic grid</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">-------------------------------------------------------------------</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Spin CASE ( default = unpolarized )</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Initializing Wannier90</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Initial Wannier projections</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">( 0.00000 0.00000 0.00000) : l = -3 mr = 1</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">( 0.00000 0.00000 0.00000) : l = -3 mr = 2</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">( 0.00000 0.00000 0.00000) : l = -3 mr = 3</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">( 0.00000 0.00000 0.00000) : l = -3 mr = 4</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">- Number of bands is ( 4)</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">- Number of wannier functions is ( 4)</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">- All guiding functions are given </span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">- All neighbours are found </span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">AMN</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">1 of 216 on ionode</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">2 of 216 on ionode</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">3 of 216 on ionode</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">4 of 216 on ionode</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">5 of 216 on ionode</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">.</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">.</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">.</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">214 of 216 on ionode</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">215 of 216 on ionode</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">216 of 216 on ionode</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">AMN calculated</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">MMN</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">1 of 216 on ionode</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">2 of 216 on ionode</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">3 of 216 on ionode</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">.</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">.</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">.</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">212 of 216 on ionode</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">213 of 216 on ionode</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">214 of 216 on ionode</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">215 of 216 on ionode</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">216 of 216 on ionode</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">MMN calculated</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Running Wannier90</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Wannier Function centers (cartesian, alat) and spreads (ang):</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">( 0.24828 0.14462 -0.00439) : 0.60477</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">( 0.00869 -0.19600 -0.09296) : 1.93875</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">( -0.24840 0.14456 -0.00453) : 0.60489</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">( 0.01666 -0.15493 0.12466) : 2.68110</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">-------------------------------------------------------------------</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">WANNIER : 109.92s CPU 110.10s WALL ( 1 calls)</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">-------------------------------------------------------------------</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Dipole matrix elements calculated</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Calculating kmap and kgmap</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Progress kmap: ########################################</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Progress kgmap: ########################################</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">kmaps : 5.90s CPU 5.93s WALL ( 1 calls)</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Symmetries of bravais lattice: 24</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Symmetries of crystal: 24</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">===================================================================</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">irreducible q point # 1</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">===================================================================</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Symmetries of small group of q: 24</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">in addition sym. q -> -q+G:</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Number of q in the star = 1</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">List of q in the star:</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">1 0.000000000 0.000000000 0.000000000</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Imposing acoustic sum rule on the dynamical matrix</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">q( 1 ) = ( 0.0000000 0.0000000 0.0000000 )</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">===================================================================</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">irreducible q point # 2</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">===================================================================</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Symmetries of small group of q: 12</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Number of q in the star = 2</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">List of q in the star:</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">1 0.000000000 0.000000000 0.061141750</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">2 0.000000000 0.000000000 -0.061141750</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">q( 2 ) = ( 0.0000000 0.0000000 0.0611418 )</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">q( 3 ) = ( 0.0000000 0.0000000 -0.0611418 )</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">.</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">.</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">.</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">.</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">.</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">.</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">===================================================================</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">irreducible q point # 28</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">===================================================================</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Symmetries of small group of q: 12</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Number of q in the star = 2</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">List of q in the star:</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">1 0.333333333 0.577350269 -0.183425250</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">2 -0.333333333 -0.577350269 -0.183425250</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">q( 215 ) = ( 0.3333333 0.5773503 -0.1834253 )</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">q( 216 ) = ( -0.3333333 -0.5773503 -0.1834253 )</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Writing epmatq on .epb files</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Writing Hamiltonian, Dynamical matrix and EP vertex in Wann rep to file</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Reading Hamiltonian, Dynamical matrix and EP vertex in Wann rep from file</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Finished reading Wann rep data from file</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Using q-mesh file: meshes/path.dat</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">WARNING: q-point weigths do not add up to 1 [loadqmesh_serial]</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Size of q point mesh for interpolation: 167</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Using uniform k-mesh: 50 50 50</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Size of k point mesh for interpolation: 250000</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Max number of k points per pool: 250000</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Fermi energy coarse grid = 1.440889 eV</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Fermi energy is calculated from the fine k-mesh: Ef = 1.463080 eV</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">===================================================================</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">ibndmin = 4 ebndmin = 0.008</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">ibndmax = 4 ebndmax = 0.104</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Number of ep-matrix elements per pool : 750000 ~= 5.72 Mb (@ 8 bytes/ DP)</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">===================================================================</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Phonon (Imaginary) Self-Energy in the Migdal Approximation</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">===================================================================</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Fermi Surface thickness = 1.360570 eV</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Golden Rule strictly enforced with T = 0.025852 eV</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Gaussian Broadening: 0.100000 eV, ngauss= 1</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">DOS = 0.007206 states/spin/eV/Unit Cell at Ef= 1.463080 eV</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">ismear = 1 iq = 1 coord.: 0.50000 0.00000 0.00000 wt: 0.00498</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">-------------------------------------------------------------------</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 58.2450 meV</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 77.6108 meV</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 78.3928 meV</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">lambda( 4 )= 0.000000 gamma= 0.000000 meV omega= 165.4669 meV</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">lambda( 5 )= 0.000000 gamma= 0.000000 meV omega= 167.0401 meV</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">lambda( 6 )= 0.000000 gamma= 0.000000 meV omega= 173.5466 meV</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">lambda( tot )= 0.000000</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">-------------------------------------------------------------------</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Number of (k,k+q) pairs on the Fermi surface: 0 out of 125000</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">ismear = 1 iq = 2 coord.: 0.49500 0.00000 0.00000 wt: 0.00498</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">-------------------------------------------------------------------</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">lambda( 1 )= 0.000000 gamma= 0.000000 meV omega= 58.1963 meV</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">lambda( 2 )= 0.000000 gamma= 0.000000 meV omega= 77.6015 meV</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">lambda( 3 )= 0.000000 gamma= 0.000000 meV omega= 78.4332 meV</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">lambda( 4 )= 0.000000 gamma= 0.000000 meV omega= 164.9867 meV</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">lambda( 5 )= 0.000000 gamma= 0.000000 meV omega= 167.5052 meV</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">lambda( 6 )= 0.000000 gamma= 0.000000 meV omega= 173.5529 meV</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">lambda( tot )= 0.000000</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">-------------------------------------------------------------------</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">.</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">.</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">.</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">.</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">.</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">.</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">.</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">.</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">.</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">.</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">.</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">.</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Number of (k,k+q) pairs on the Fermi surface: 3908 out of 125000</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">ismear = 1 iq = 166 coord.: 0.32500 0.32500 0.00000 wt: 0.00498</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">-------------------------------------------------------------------</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">lambda( 1 )=*************** gamma=*************** meV omega= 64.4973 meV</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">lambda( 2 )=*************** gamma=*************** meV omega= 67.5676 meV</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">lambda( 3 )=*************** gamma=*************** meV omega= 123.3075 meV</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">lambda( 4 )=*************** gamma=*************** meV omega= 150.0006 meV</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">lambda( 5 )=*************** gamma=*************** meV omega= 152.9035 meV</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">lambda( 6 )=*************** gamma=*************** meV omega= 160.0652 meV</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">lambda( tot )=***************</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">-------------------------------------------------------------------</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Number of (k,k+q) pairs on the Fermi surface: 4139 out of 125000</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">ismear = 1 iq = 167 coord.: 0.33000 0.33000 0.00000 wt: 0.00498</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">-------------------------------------------------------------------</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">lambda( 1 )=*************** gamma=*************** meV omega= 65.4271 meV</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">lambda( 2 )=*************** gamma=*************** meV omega= 66.6294 meV</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">lambda( 3 )=*************** gamma=*************** meV omega= 123.6105 meV</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">lambda( 4 )=*************** gamma=*************** meV omega= 150.8074 meV</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">lambda( 5 )=*************** gamma=*************** meV omega= 151.8909 meV</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">lambda( 6 )=*************** gamma=*************** meV omega= 159.9105 meV</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">lambda( tot )=***************</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">-------------------------------------------------------------------</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Number of (k,k+q) pairs on the Fermi surface: 4104 out of 125000</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">===================================================================</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Eliashberg Spectral Function in the Migdal Approximation</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">===================================================================</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">lambda : ************</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">lambda_tr : ************</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Estimated Allen-Dynes Tc</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">logavg = 0.0001833 l_a2F = ************</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">mu = 0.10 Tc = 7.959692176350 K</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">mu = 0.12 Tc = 7.842336606034 K</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">mu = 0.14 Tc = 7.723595120726 K</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">mu = 0.16 Tc = 7.603457094934 K</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">mu = 0.18 Tc = 7.481912775461 K</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">mu = 0.20 Tc = 7.358953390034 K</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">a2F : 0.16s CPU 0.20s WALL ( 1 calls)</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Unfolding on the coarse grid</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">elphon_wrap : 4285.36s CPU 4346.45s WALL ( 1 calls)</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">INITIALIZATION: </span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">init_vloc : 6.50s CPU 6.51s WALL ( 218 calls)</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">init_us_1 : 4.43s CPU 4.76s WALL ( 218 calls)</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Electron-Phonon interpolation</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">ephwann : 4721.92s CPU 4770.46s WALL ( 1 calls)</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">ep-interp : 4682.47s CPU 4727.38s WALL ( 167 calls)</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">PH SELF-ENER : 2.05s CPU 2.05s WALL ( 167 calls)</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Ham: step 1 : 0.00s CPU 0.00s WALL ( 1 calls)</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Ham: step 2 : 0.01s CPU 0.31s WALL ( 1 calls)</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">ep: step 1 : 0.12s CPU 0.12s WALL ( 1296 calls)</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">ep: step 2 : 16.53s CPU 17.60s WALL ( 1296 calls)</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">DynW2B : 0.02s CPU 0.04s WALL ( 167 calls)</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">HamW2B : 2321.30s CPU 2321.77s WALL (42000000 calls)</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">ephW2Bp : 4.49s CPU 4.50s WALL ( 167 calls)</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">Total program execution</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">EPW : 2h31m CPU 2h33m WALL</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">please help me in resolving this .</span><br style="margin:0px;padding:0px;color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)"><span style="color:rgb(68,68,68);font-family:'lucida grande',verdana,helvetica,arial,sans-serif;font-size:12px;line-height:16.8px;background-color:rgb(239,242,245)">thank you</span><br></div>