<meta http-equiv="Content-Type" content="text/html; charset=GB18030"><div>Dear All, <br></div><div><br></div><div>I try to perform el-ph calculations using ph.x (current developer version)with the input below, but the calculations stopped and exited just before the initiation of electron-phonon interaction calculations. Is this a bug of ph.x ? Any solution to this issue? Thank you so much!<br></div><div><br></div><div>... ...<br></div><div><br></div><div> q = ( 0.000000000 0.000000000 0.000000000 ) <br><br> **************************************************************************<br> freq ( 1) = -12.236460 [THz] = -408.164367 [cm-1]<br> freq ( 2) = -12.236460 [THz] = -408.164367 [cm-1]<br> freq ( 3) = -12.236460 [THz] = -408.164367 [cm-1]<br> freq ( 4) = 0.279927 [THz] = 9.337362 [cm-1]<br> freq ( 5) = 0.279927 [THz] = 9.337362 [cm-1]<br> freq ( 6) = 0.279927 [THz] = 9.337362 [cm-1]<br> freq ( 7) = 9.332407 [THz] = 311.295591 [cm-1]<br> freq ( 8) = 9.332407 [THz] = 311.295591 [cm-1]<br> freq ( 9) = 9.332407 [THz] = 311.295591 [cm-1]<br> freq ( 10) = 25.786128 [THz] = 860.132635 [cm-1]<br> freq ( 11) = 25.786128 [THz] = 860.132635 [cm-1]<br> freq ( 12) = 25.786128 [THz] = 860.132635 [cm-1]<br> freq ( 13) = 31.282119 [THz] = 1043.459172 [cm-1]<br> freq ( 14) = 31.282119 [THz] = 1043.459172 [cm-1]<br> freq ( 15) = 31.282119 [THz] = 1043.459172 [cm-1]<br> freq ( 16) = 38.547065 [THz] = 1285.791689 [cm-1]<br> freq ( 17) = 38.547065 [THz] = 1285.791689 [cm-1]<br> freq ( 18) = 38.547065 [THz] = 1285.791689 [cm-1]<br> freq ( 19) = 47.476599 [THz] = 1583.648886 [cm-1]<br> freq ( 20) = 47.476599 [THz] = 1583.648886 [cm-1]<br> freq ( 21) = 47.476599 [THz] = 1583.648886 [cm-1]<br> freq ( 22) = 48.297068 [THz] = 1611.016770 [cm-1]<br> freq ( 23) = 48.297068 [THz] = 1611.016770 [cm-1]<br> freq ( 24) = 48.297068 [THz] = 1611.016770 [cm-1]<br> **************************************************************************<br><br></div><div> electron-phonon interaction ...<br><br>forrtl: severe (24): end-of-file during read, unit 40, file /home/jibiaoli/calc/H3S/cubic/pres_exp/Tc/./bulk.a2Fsave<br>Image PC Routine Line Source <br>ph.x 00000000014D6D1B Unknown Unknown Unknown<br>ph.x 000000000151119F Unknown Unknown Unknown<br>ph.x 000000000043F1CE elphsum_ 806 elphon.f90<br>ph.x 00000000004161B6 do_phonon_ 143 do_phonon.f90<br>ph.x 000000000041047E MAIN__ 87 phonon.f90<br>ph.x 00000000004103B2 Unknown Unknown Unknown<br>libc-2.27.so 00007F1F306D3B97 __libc_start_main Unknown Unknown<br>ph.x 000000000041029A Unknown Unknown Unknown<br>--------------------------------------------------------------------------<br>Primary job terminated normally, but 1 process returned<br>a non-zero exit code. Per user-direction, the job has been aborted.</div><div><br></div><div><br></div><div>Phonon for bulk <br> &inputph<br> tr2_ph=1.0d-14,<br> alpha_mix(1)=0.3,<br> prefix='bulk',<br> fildvscf='bulk.dv',<br> amass(1)=1.00794,<br> amass(2)=32.065,<br> outdir='./',<br> fildyn='bulk.dyn',<br> electron_phonon='interpolated',<br> el_ph_sigma=0.005,<br> el_ph_nsigma=10,<br> trans=.true.,<br> ldisp=.true.,<br> nq1=8, nq2=8, nq3=8,<br> search_sym=.false.,<br> /<br><br></div><br><div><hr style="margin: 0 0 10px 0;border: 0;border-bottom:1px solid #E4E5E6;height:0;line-height:0;font-size:0;padding: 20px 0 0 0;width: 50px;" align="left"><div style="font-size:14px;font-family:Verdana;color:#000;"><div><i><font size="2" face="Times New Roman" color="#0000ff"><b>Dr. Jibiao Li, </b></font></i></div><div><i><font size="2" face="Times New Roman" color="#0000ff"><b>Department of Material Science and Engineering</b></font></i></div><div><i><font size="2" face="Times New Roman" color="#0000ff"><b>Yangtze Normal University</b></font></i></div><div><i><font face="Times New Roman"><font size="2"><font color="#0000ff"><b><span style="text-align: left; text-transform: none; line-height: 21px; text-indent: 0px; letter-spacing: normal; font-variant: normal; text-decoration: none; word-spacing: 0px; display: inline !important; white-space: normal; orphans: 2; float: none; -webkit-text-stroke-width: 0px; background-color: transparent;">Juxian Dadao 16#,</span> Fuling, Chongqing, China</b></font></font></font></i></div><div><i><font size="2" face="Times New Roman" color="#0000ff"><b>Email: jibiaoli@yznu.edu.cn, jibiaoli@foxmail.com, jibiao.li@hotmail.com</b></font></i></div><div><i><font size="2" face="Times New Roman" color="#0000ff"><b>Homepage: https://www.researchgate.net/profile/Jibiao_Li</b></font></i></div>
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