<div style="line-height:1.7;color:#000000;font-size:14px;font-family:Arial"><div>Dear  developer£º</div><div>      I am calculating the electron_phonon coupling and the lambda of superconduct case(FeSe) using the version 5.1. </div><div>     First step, I have done the phonon calculation to obtain the fildvscf, fildrho and fildyn¡£ These files saved in the directory. The second step, I need to calculate the electron_phonon using the saved fildvscf and fildyn. But I always was prevented by the  following errors:</div><div><br></div><div>     forrtl: severe (59): list-directed I/O syntax error, unit 26, file /data2/ouyang/work/fese-qe/NM+CAFM/3/fese.dyn3</div><div>Image              PC                Routine            Line        Source</div><div>ph.x               0000000000B6985D  Unknown               Unknown  Unknown</div><div>ph.x               0000000000B68365  Unknown               Unknown  Unknown</div><div>ph.x               0000000000B053D9  Unknown               Unknown  Unknown</div><div>ph.x               0000000000A8E45A  Unknown               Unknown  Unknown</div><div>ph.x               0000000000A8DC50  Unknown               Unknown  Unknown</div><div>ph.x               0000000000ABFE3B  Unknown               Unknown  Unknown</div><div>ph.x               0000000000ABD9C8  Unknown               Unknown  Unknown</div><div>ph.x               0000000000459FE0  readmat_                  192  elphon.f90</div><div>ph.x               000000000045659A  elphon_                   110  elphon.f90</div><div>ph.x               0000000000447166  do_phonon_                 95  do_phonon.f90</div><div>ph.x               000000000044429C  MAIN__                     75  phonon.f90</div><div>ph.x               00000000004441DC  Unknown               Unknown  Unknown</div><div>libc.so.6          000000328BE1D994  Unknown               Unknown  Unknown</div><div>ph.x               00000000004440E9  Unknown               Unknown  Unknown</div><div>I will list the input files as following:</div><div>the first input file for scf:</div><div><div>&control</div><div>    calculation        = 'scf'</div><div>    restart_mode       = 'from_scratch'</div><div>    prefix             = 'fese'</div><div>    pseudo_dir         = '/data2/ouyang/software/espresso-5.1/espresso-5.1/pseudo/'</div><div>    outdir             = './tempdir/'</div><div>/</div><div>&system</div><div>    ibrav              = 0</div><div>    nat                = 4</div><div>    ntyp               = 4</div><div>    ecutwfc            = 60</div><div>    ecutrho            = 600</div><div>    occupations        = 'smearing'</div><div>    smearing           = 'methfessel-paxton'</div><div>    degauss            =  0.02</div><div>    nspin              = 2</div><div>    starting_magnetization(1) =1</div><div>    starting_magnetization(2) =-1</div><div>    starting_magnetization(3) =0</div><div>    starting_magnetization(4) =0</div><div>/</div><div>&electrons</div><div>    electron_maxstep   = 50</div><div>    conv_thr           = 1.0D-14</div><div>    mixing_beta        = 0.7</div><div>    mixing_mode        = 'plain'</div><div>/</div><div>ATOMIC_SPECIES</div><div>   Fe1    55.845        Fe.pbe-nd-rrkjus.UPF</div><div>   Fe2    55.845        Fe.pbe-nd-rrkjus.UPF</div><div>   Se1    78.960        Se.pbe-n-rrkjus_psl.0.2.UPF</div><div>   Se2    78.960        Se.pbe-n-rrkjus_psl.0.2.UPF</div><div>CELL_PARAMETERS {angstrom}</div><div>3.754198    0.000000   0.000000</div><div>0.000000    3.754198   0.000000</div><div>0.000000    0.000000   6.545954</div><div>ATOMIC_POSITIONS {crystal}</div><div>Fe1   0.750000      0.250000      0.000000</div><div>Fe2   0.250000      0.750000      0.000000</div><div>Se1   0.750000      0.750000      0.774837</div><div>Se2   0.250000      0.250000      0.225163</div><div>K_POINTS (automatic)</div><div>12 12 6 0 0 0</div></div><div><br></div><br><div>The second file for phonon calculation:</div><div><div>Electron-phonon coefficients for fese</div><div> &inputph</div><div>  tr2_ph=1.0e-14</div><div>  alpha_mix=0.3</div><div>  prefix='fese'</div><div>  fildvscf='fesedv'</div><div>  fildrho='drho'</div><div>  amass(1)=55.845</div><div>  amass(2)=55.845</div><div>  amass(3)=78.96</div><div>  amass(4)=78.96</div><div>  outdir='tempdir'</div><div>  fildyn='fese.dyn'</div><div>  start_q   = 3</div><div>  last_q    = 3</div><div>  trans=.true.</div><div>  ldisp=.true.</div><div>  nq1=2, nq2=2, nq3=2</div></div><div><br></div><div><br></div><div>The third file for calculating the electron_phonon using the saved fildyn and fildvscf :</div><div><div>Electron-phonon coefficients for fese</div><div> &inputph</div><div>  tr2_ph=1.0e-14</div><div>  alpha_mix=0.3</div><div>  prefix='fese'</div><div>  fildvscf='fesedv'</div><div>  fildrho='drho'</div><div>  amass(1)=55.845</div><div>  amass(2)=55.845</div><div>  amass(3)=78.96</div><div>  amass(4)=78.96</div><div>  electron_phonon='interpolated'</div><div>  el_ph_sigma=0.005</div><div>  el_ph_nsigma=20</div><div>  outdir='tempdir'</div><div>  fildyn='fese.dyn'</div><div>  start_q   = 3</div><div>  last_q    = 3</div><div>  trans=.false.</div><div>  ldisp=.true.</div><div>  nq1=2, nq2=2, nq3=2</div></div><div><br></div><div><br></div><div>I want to know how to solve the problem. I will be very appreciative for your answer..</div><br><br><div style="position:relative;zoom:1"><br><div> </div>
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