
Dear all,<div>    When I do scf calculation for a heterostructure under uniform electric field, some errors happen. The following is my scf.in and scf.out files:</div><div>    <span style="font-family: ثخجه; font-size: 10.5pt; line-height: 1.5;">&CONTROL</span></div><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     calculation = 'scf',</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     outdir = '//data/'</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     pseudo_dir = '//qe-6.0/pseudo',</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     lelfield=.true.,</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     nberrycyc=3,</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     prefix = '***'</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">/</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">&SYSTEM</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     ibrav = 0, </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     nat = 28,</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     ntyp = 3,</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     ecutwfc = 70.0,</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     ecutrho = 280</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">/</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">&ELECTRONS</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  conv_thr    = 1.D-6,</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">    </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  mixing_beta = 0.5D0,</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  startingwfc='random',</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  efield_cart(1)=0.d0,efield_cart(2)=0.d0,efield_cart(3)=0.02d0</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">/ </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">ATOMIC_SPECIES</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">    *     1.0     *.pbe-mt_fhi.UPF</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">    **     1.0     **.pbe-mt_fhi.UPF</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">    ***      1.0   ***.pbe-mt_fhi.UPF</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">CELL_PARAMETERS angstrom</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">   4.400590572   0.000095338   0.032721075</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">   0.000033188  13.128073302   0.014943051</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">   0.182165326   0.028428174  26.459295624</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">ATOMIC_POSITIONS crystal</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">*        0.581086857  -0.004903724   0.095495745</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">*        0.579315057   0.243680089   0.098466633</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">*        0.581283848   0.492423122   0.094592033</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">*        0.581843824   0.743729194   0.092223582</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">*        0.411717177  -0.009302323   0.176533231</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">*        0.412121835   0.243893804   0.179580443</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">&*        0.412137506   0.495982443   0.175657280</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">*        0.411606950   0.742791885   0.173384601</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">*        0.074684206   0.116988808   0.178214167</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">*        0.073716780   0.370460885   0.177455665</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">*        0.069524209   0.619511392   0.172426598</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">*        0.069810965   0.866487173   0.173127017</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">*       -0.079894165   0.119685577   0.097277232</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">*       -0.079785176   0.367682455   0.096481848</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">*       -0.081432153   0.617913892   0.091200597</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">*       -0.080767965   0.869601279   0.091867617</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">*       0.090496586   0.249737876   0.404898175</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">*       0.090089714   0.582274289   0.404428258</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">*       0.090271532   0.918129483   0.404526570</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">*       0.602472490   0.084681141   0.297657979</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">*       0.600918028   0.416090605   0.298237510</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">*       0.592586348   0.750695853   0.300513866</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">*       0.530383586   0.083674416   0.401028959</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">*       0.529366318   0.416513642   0.401470735</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">*       0.525080269   0.750070682   0.403762565</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">*       0.039360326   0.250522574   0.302456207</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">*       0.037066952   0.583842241   0.301570174</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">*       0.036938095   0.917141248   0.301752712</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">K_POINTS {automatic}</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">15 5 1  0  0  0</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"> </span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><br></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"> Parallel version (MPI), running on    24 processors</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     R & G space division:  proc/nbgrp/npool/nimage =      24</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     Waiting for input...</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     Reading input from standard input</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"> </span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     Current dimensions of program PWSCF are:</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     Max number of different atomic species (ntypx) = 10</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     Max number of k-points (npk) =  40000</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     Max angular momentum in pseudopotentials (lmaxx) =  3</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">               file Sn.pbe-mt_fhi.UPF: wavefunction(s)  5d 4f renormalized</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">               file Se.pbe-mt_fhi.UPF: wavefunction(s)  4f renormalized</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">               file P.pbe-mt_fhi.UPF: wavefunction(s)  4f renormalized</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"> </span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     Subspace diagonalization in iterative solution of the eigenvalue problem:</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     a serial algorithm will be used</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"> </span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"> </span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     Parallelization info</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     --------------------</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     Min         191     191     56                33995    33995    5456</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     Max         192     192     57                34009    34009    5465</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     Sum        4597    4597   1355               815981   815981  131025</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"> </span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"> </span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"> </span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     bravais-lattice index     =            0</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     lattice parameter (alat)  =       8.3161  a.u.</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     unit-cell volume          =   10314.8776 (a.u.)^3</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     number of atoms/cell      =           28</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     number of atomic types    =            3</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     number of electrons       =       140.00</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     number of Kohn-Sham states=           70</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     kinetic-energy cutoff     =      70.0000  Ry</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     charge density cutoff     =     280.0000  Ry</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     convergence threshold     =      1.0E-06</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     mixing beta               =       0.5000</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     number of iterations used =            8  plain     mixing</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     Exchange-correlation      = PBE ( 1  4  3  4 0 0)</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"> </span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     Using Berry phase electric field</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     In a.u.(Ry)  cartesian system of reference</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        0.0000000000</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        0.0000000000</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        0.0200000000</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     In a.u.(Ry)  crystal system of reference</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        0.0001487081</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        0.0000227650</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        0.0199995145</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     Number of iterative cycles:   3</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"> </span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"> </span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     celldm(1)=   8.316141  celldm(2)=   0.000000  celldm(3)=   0.000000</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"> </span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     crystal axes: (cart. coord. in units of alat)</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">               a(1) = (   0.999972   0.000022   0.007435 )  </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">               a(2) = (   0.000008   2.983170   0.003396 )  </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">               a(3) = (   0.041395   0.006460   6.012503 )  </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"> </span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     reciprocal axes: (cart. coord. in units 2 pi/alat)</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">               b(1) = (  1.000079  0.000005 -0.006885 )  </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">               b(2) = ( -0.000005  0.335214 -0.000360 )  </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">               b(3) = ( -0.001237 -0.000189  0.166329 )  </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"> </span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"> </span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     PseudoPot. # 1 for * read from file:</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     //qe-6.0/pseudo/*.pbe-mt_fhi.UPF</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     MD5 check sum: c8229872f1b50076eeaf5282003891c9</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     Pseudo is Norm-conserving, Zval =  4.0</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     Generated using FHI98PP, converted with fhi2upf.x v.5.0.2</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     Using radial grid of  547 points,  3 beta functions with: </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">                l(1) =   1</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">                l(2) =   2</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">                l(3) =   3</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"> </span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     PseudoPot. # 2 for * read from file:</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     //qe-6.0/pseudo/*.pbe-mt_fhi.UPF</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     MD5 check sum: 9f5eeb2c03cdb8d988106d0b99ed4143</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     Pseudo is Norm-conserving, Zval =  6.0</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     Generated using FHI98PP, converted with fhi2upf.x v.5.0.2</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     Using radial grid of  533 points,  3 beta functions with: </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">                l(1) =   0</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">                l(2) =   1</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">                l(3) =   3</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"> </span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     PseudoPot. # 3 for  * read from file:</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     //qe-6.0/pseudo/*.pbe-mt_fhi.UPF</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     MD5 check sum: 7191c457fb61afa58d0f00d0e4a443c1</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     Pseudo is Norm-conserving, Zval =  5.0</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     Generated using FHI98PP, converted with fhi2upf.x v.5.0.2</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     Using radial grid of  499 points,  3 beta functions with: </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">                l(1) =   0</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">                l(2) =   1</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">                l(3) =   3</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"> </span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     atomic species   valence    mass     pseudopotential</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        *             4.00     1.00000     Sn( 1.00)</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        *             6.00     1.00000     Se( 1.00)</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        *              5.00     1.00000      P( 1.00)</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"> </span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     No symmetry found</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"> </span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"> </span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"> </span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">   Cartesian axes</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"> </span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     site n.     atom                  positions (alat units)</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">         1           P   tau(   1) = (   0.5850238  -0.0139992   0.5784724  )</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">         2           P   tau(   2) = (   0.5833769   0.7275878   0.5971658  )</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">         3           P   tau(   3) = (   0.5851871   1.4696056   0.5747290  )</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">         4           P   tau(   4) = (   0.5856509   2.2192791   0.5613462  )</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">         5           P   tau(   5) = (   0.4190132  -0.0266011   1.0644363  )</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">         6           P   tau(   6) = (   0.4195459   0.7287457   1.0836204  )</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">         7           P   tau(   7) = (   0.4194011   1.4807437   1.0608885  )</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">         8           P   tau(   8) = (   0.4187783   2.2170035   1.0480581  )</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">         9           P   tau(   9) = (   0.0820601   0.3501504   1.0724658  )</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        10           P   tau(  10) = (   0.0810632   1.1062958   1.0687588  )</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        11           P   tau(  11) = (   0.0766645   1.8492233   1.0393360  )</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        12           P   tau(  12) = (   0.0769821   2.5859986   1.0443880  )</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        13           P   tau(  13) = (  -0.0758643   0.3576691   0.5846920  )</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        14           P   tau(  14) = (  -0.0757864   1.0974809   0.5807527  )</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        15           P   tau(  15) = (  -0.0776500   1.8439297   0.5498366  )</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        16           P   tau(  16) = (  -0.0769564   2.5947603   0.5547066  )</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        17           Sn  tau(  17) = (   0.1072565   0.7476281   2.4359724  )</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        18           Sn  tau(  18) = (   0.1068327   1.7396378   2.4342732  )</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        19           Sn  tau(  19) = (   0.1070211   2.7415516   2.4360060  )</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        20           Sn  tau(  20) = (   0.6147779   0.2545541   1.7944367  )</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        21           Sn  tau(  21) = (   0.6132500   1.2432087   1.7990349  )</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        22           Sn  tau(  22) = (   0.6050153   2.2414076   1.8137957  )</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        23           Se  tau(  23) = (   0.5469700   0.2522171   2.4154156  )</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        24           Se  tau(  24) = (   0.5459735   1.2451360   2.4191944  )</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        25           Se  tau(  25) = (   0.5417850   2.2402081   2.4340748  )</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        26           Se  tau(  26) = (   0.0518812   0.7493062   1.8196622  )</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        27           Se  tau(  27) = (   0.0495537   1.7436497   1.8154497  )</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        28           Se  tau(  28) = (   0.0494349   2.7379385   1.8176780  )</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"> </span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     number of k points=    75</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">                       cart. coord. in units 2pi/alat</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(    2) = (  -0.0000009   0.0670429  -0.0000720), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(    3) = (  -0.0000018   0.1340857  -0.0001441), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(    4) = (  -0.0000028   0.2011286  -0.0002161), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(    5) = (  -0.0000037   0.2681714  -0.0002881), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(    6) = (   0.0666719   0.0000004  -0.0004590), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(    7) = (   0.0666710   0.0670432  -0.0005310), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(    8) = (   0.0666701   0.1340861  -0.0006031), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(    9) = (   0.0666692   0.2011289  -0.0006751), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   10) = (   0.0666683   0.2681718  -0.0007471), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   11) = (   0.1333438   0.0000007  -0.0009180), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   12) = (   0.1333429   0.0670436  -0.0009901), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   13) = (   0.1333420   0.1340864  -0.0010621), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   14) = (   0.1333411   0.2011293  -0.0011341), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   15) = (   0.1333402   0.2681721  -0.0012061), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   16) = (   0.2000158   0.0000011  -0.0013771), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   17) = (   0.2000149   0.0670439  -0.0014491), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   18) = (   0.2000139   0.1340868  -0.0015211), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   19) = (   0.2000130   0.2011296  -0.0015931), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   20) = (   0.2000121   0.2681725  -0.0016652), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   21) = (   0.2666877   0.0000014  -0.0018361), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   22) = (   0.2666868   0.0670443  -0.0019081), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   23) = (   0.2666859   0.1340871  -0.0019801), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   24) = (   0.2666849   0.2011300  -0.0020522), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   25) = (   0.2666840   0.2681728  -0.0021242), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   26) = (   0.3333596   0.0000018  -0.0022951), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   27) = (   0.3333587   0.0670446  -0.0023671), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   28) = (   0.3333578   0.1340875  -0.0024391), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   29) = (   0.3333569   0.2011303  -0.0025112), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   30) = (   0.3333559   0.2681732  -0.0025832), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   31) = (   0.4000315   0.0000021  -0.0027541), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   32) = (   0.4000306   0.0670450  -0.0028261), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   33) = (   0.4000297   0.1340878  -0.0028982), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   34) = (   0.4000288   0.2011307  -0.0029702), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   35) = (   0.4000279   0.2681735  -0.0030422), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   36) = (   0.4667035   0.0000025  -0.0032131), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   37) = (   0.4667025   0.0670453  -0.0032852), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   38) = (   0.4667016   0.1340882  -0.0033572), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   39) = (   0.4667007   0.2011310  -0.0034292), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   40) = (   0.4666998   0.2681739  -0.0035012), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   41) = (   0.5333754   0.0000028  -0.0036722), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   42) = (   0.5333745   0.0670457  -0.0037442), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   43) = (   0.5333735   0.1340885  -0.0038162), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   44) = (   0.5333726   0.2011314  -0.0038882), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   45) = (   0.5333717   0.2681743  -0.0039603), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   46) = (   0.6000473   0.0000032  -0.0041312), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   47) = (   0.6000464   0.0670460  -0.0042032), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   48) = (   0.6000455   0.1340889  -0.0042752), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   49) = (   0.6000446   0.2011318  -0.0043472), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   50) = (   0.6000436   0.2681746  -0.0044193), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   51) = (   0.6667192   0.0000035  -0.0045902), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   52) = (   0.6667183   0.0670464  -0.0046622), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   53) = (   0.6667174   0.1340893  -0.0047342), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   54) = (   0.6667165   0.2011321  -0.0048063), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   55) = (   0.6667156   0.2681750  -0.0048783), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   56) = (   0.7333911   0.0000039  -0.0050492), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   57) = (   0.7333902   0.0670467  -0.0051212), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   58) = (   0.7333893   0.1340896  -0.0051933), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   59) = (   0.7333884   0.2011325  -0.0052653), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   60) = (   0.7333875   0.2681753  -0.0053373), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   61) = (   0.8000631   0.0000042  -0.0055082), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   62) = (   0.8000622   0.0670471  -0.0055803), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   63) = (   0.8000612   0.1340900  -0.0056523), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   64) = (   0.8000603   0.2011328  -0.0057243), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   65) = (   0.8000594   0.2681757  -0.0057963), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   66) = (   0.8667350   0.0000046  -0.0059672), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   67) = (   0.8667341   0.0670475  -0.0060393), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   68) = (   0.8667332   0.1340903  -0.0061113), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   69) = (   0.8667322   0.2011332  -0.0061833), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   70) = (   0.8667313   0.2681760  -0.0062553), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   71) = (   0.9334069   0.0000050  -0.0064263), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   72) = (   0.9334060   0.0670478  -0.0064983), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   73) = (   0.9334051   0.1340907  -0.0065703), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   74) = (   0.9334042   0.2011335  -0.0066423), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">        k(   75) = (   0.9334032   0.2681764  -0.0067144), wk =   0.0266667</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"> </span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     Dense  grid:   815981 G-vectors     FFT dimensions: (  45, 135, 270)</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"> </span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     Estimated max dynamical RAM per process >     407.10Mb</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"> </span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     Estimated total allocated dynamical RAM >    9770.32Mb</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"> </span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     Initial potential from superposition of free atoms</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     Check: negative starting charge=   -0.001388</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"> </span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     starting charge  139.98658, renormalised to  140.00000</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"> </span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     negative rho (up, down):  1.388E-03 0.000E+00</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     Starting wfc are random</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"> </span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     total cpu time spent up to now is       71.4 secs</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"> </span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     per-process dynamical memory:   443.3 Mb</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"> </span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     Self-consistent Calculation</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"> </span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     iteration #  1     ecut=    70.00 Ry     beta=0.50</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     Davidson diagonalization with overlap</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     ethr =  1.00E-02,  avg # of iterations = 10.8</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     Davidson diagonalization with overlap</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     ethr =  1.00E-02,  avg # of iterations =  8.1</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     Davidson diagonalization with overlap</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     ethr =  1.00E-02,  avg # of iterations =  5.6</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"> </span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     Expectation value of exp(iGx): ( 2.55440747155561706E-041, 3.27704681973577888E-041)   1.0000000000000000     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     Electronic Dipole per cell (Ry a.u.)   3.4017546186601497     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     Ionic Dipole per cell (Ry a.u.)   464.11233759839467     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"> </span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     Expectation value of exp(iGx): ( 3.45348727156983783E-014,-1.76257568968168627E-015)   2.9831720740803447     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     Electronic Dipole per cell (Ry a.u.) -0.56948005899227061     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">     Ionic Dipole per cell (Ry a.u.)   2265.3892576281296     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  error: translated G=   0.0000000000000000        0.0000000000000000      -0.16632008215422314       with crystal coordinates           0           0          -1  corresponds to ng=           2  but G(ng)=  1.23675197907768515E-003  1.89320903593482573E-004 -0.16632880027651620     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  probably because G_par is NOT a reciprocal lattice vector </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  Possible choices as smallest  G_par:</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=           1    G=   0.0000000000000000        0.0000000000000000        0.0000000000000000     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=           2    G=  1.23675197907768515E-003  1.89320903593482573E-004 -0.16632880027651620     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=           3    G= -1.23675197907768515E-003 -1.89320903593482573E-004  0.16632880027651620     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=           4    G=  2.47350395815537031E-003  3.78641807186965145E-004 -0.33265760055303240     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=           5    G= -2.47350395815537031E-003 -3.78641807186965145E-004  0.33265760055303240     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=           6    G=  3.71025593723305546E-003  5.67962710780447718E-004 -0.49898640082954859     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=           7    G= -3.71025593723305546E-003 -5.67962710780447718E-004  0.49898640082954859     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=           8    G=  4.94700791631074062E-003  7.57283614373930290E-004 -0.66531520110606479     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=           9    G= -4.94700791631074062E-003 -7.57283614373930290E-004  0.66531520110606479     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=          10    G=  6.18375989538842534E-003  9.46604517967412863E-004 -0.83164400138258099     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=          11    G= -6.18375989538842534E-003 -9.46604517967412863E-004  0.83164400138258099     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=          12    G=  7.42051187446611093E-003  1.13592542156089544E-003 -0.99797280165909719     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=          13    G= -7.42051187446611093E-003 -1.13592542156089544E-003  0.99797280165909719     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=          14    G=  8.65726385354379652E-003  1.32524632515437801E-003  -1.1643016019356134     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=          15    G= -8.65726385354379652E-003 -1.32524632515437801E-003   1.1643016019356134     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=          16    G=  9.89401583262148124E-003  1.51456722874786058E-003  -1.3306304022121296     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=          17    G= -9.89401583262148124E-003 -1.51456722874786058E-003   1.3306304022121296     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=          18    G=  1.11307678116991660E-002  1.70388813234134315E-003  -1.4969592024886458     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=          19    G= -1.11307678116991660E-002 -1.70388813234134315E-003   1.4969592024886458     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=          20    G=  1.23675197907768507E-002  1.89320903593482573E-003  -1.6632880027651620     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=          21    G= -1.23675197907768507E-002 -1.89320903593482573E-003   1.6632880027651620     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=          22    G=  1.36042717698545371E-002  2.08252993952830808E-003  -1.8296168030416782     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=          23    G= -1.36042717698545371E-002 -2.08252993952830808E-003   1.8296168030416782     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=          24    G=  1.48410237489322219E-002  2.27185084312179087E-003  -1.9959456033181944     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=          25    G= -1.48410237489322219E-002 -2.27185084312179087E-003   1.9959456033181944     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=          26    G=  2.75075776737182743E-005  -2.0112856634328371       2.16075925411489530E-003</span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=          27    G=  1.26425955675140344E-003  -2.0110963425292434      -0.16416804102240129     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=          28    G= -1.20924440140396687E-003  -2.0114749843364308       0.16848955953063111     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=          29    G=  2.50101153582908860E-003  -2.0109070216256502      -0.33049684129891749     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=          30    G= -2.44599638048165202E-003  -2.0116643052400240       0.33481835980714730     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=          31    G=  3.73776351490677375E-003  -2.0107177007220565      -0.49682564157543369     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=          32    G= -3.68274835955933718E-003  -2.0118536261436177       0.50114716008366345     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=          33    G=  4.97451549398445891E-003  -2.0105283798184632      -0.66315444185194994     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=          34    G= -4.91950033863702233E-003  -2.0120429470472110       0.66747596036017964     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=          35    G=  1.60777757280099083E-002  2.46117174671527366E-003  -2.1622744035947106     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=          36    G= -1.60777757280099083E-002 -2.46117174671527366E-003   2.1622744035947106     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=          37    G=  6.21126747306214363E-003  -2.0103390589148695      -0.82948324212846614     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=          38    G= -6.15625231771470705E-003  -2.0122322679508047       0.83380476063669584     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=          39    G=  7.44801945213982922E-003  -2.0101497380112763      -0.99581204240498233     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=          40    G= -7.39300429679239264E-003  -2.0124215888543979        1.0001335609132120     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=          41    G=  8.68477143121751394E-003  -2.0099604171076826       -1.1621408426814985     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=          42    G= -8.62975627587007910E-003  -2.0126109097579916        1.1664623611897282     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=          43    G=  1.73145277070875930E-002  2.65049265030875602E-003  -2.3286032038712268     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=          44    G= -1.73145277070875930E-002 -2.65049265030875602E-003   2.3286032038712268     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=          45    G=  9.92152341029519866E-003  -2.0097710962040893       -1.3284696429580147     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=          46    G= -9.86650825494776382E-003  -2.0128002306615849        1.3327911614662444     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=          47    G=  1.85512796861652778E-002  2.83981355390223837E-003  -2.4949320041477430     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=          48    G= -1.85512796861652778E-002 -2.83981355390223837E-003   2.4949320041477430     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=          49    G=  1.11582753893728834E-002  -2.0095817753004956       -1.4947984432345309     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  i=          50    G= -1.11032602340254485E-002  -2.0129895515651786        1.4991199617427606     </span><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><o:p></o:p></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"> </span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><br></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><br></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  </span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">  Who can give me some help? I am looking forward to your reply.</span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><br></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">Best regards,</span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><br></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">             Xin He </span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;"><br></span></p><p class="MsoPlainText"><span style="mso-spacerun:'yes';font-family:ثخجه;mso-hansi-font-family:'Courier New';mso-bidi-font-family:'Times New Roman';font-size:10.5000pt;mso-font-kerning:1.0000pt;">School of intelligent manufacturing, Sichuan University of Arts and Science</span></p>