[Pw_forum] error of calculation for electeon-phonon using the saved fildvscf and fildyn

[oyxf328]

Dear  developer：
      I am calculating the electron_phonon coupling and the lambda of superconduct case(FeSe) using the version 5.1. 
     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:


     forrtl: severe (59): list-directed I/O syntax error, unit 26, file /data2/ouyang/work/fese-qe/NM+CAFM/3/fese.dyn3
Image              PC                Routine            Line        Source
ph.x               0000000000B6985D  Unknown               Unknown  Unknown
ph.x               0000000000B68365  Unknown               Unknown  Unknown
ph.x               0000000000B053D9  Unknown               Unknown  Unknown
ph.x               0000000000A8E45A  Unknown               Unknown  Unknown
ph.x               0000000000A8DC50  Unknown               Unknown  Unknown
ph.x               0000000000ABFE3B  Unknown               Unknown  Unknown
ph.x               0000000000ABD9C8  Unknown               Unknown  Unknown
ph.x               0000000000459FE0  readmat_                  192  elphon.f90
ph.x               000000000045659A  elphon_                   110  elphon.f90
ph.x               0000000000447166  do_phonon_                 95  do_phonon.f90
ph.x               000000000044429C  MAIN__                     75  phonon.f90
ph.x               00000000004441DC  Unknown               Unknown  Unknown
libc.so.6          000000328BE1D994  Unknown               Unknown  Unknown
ph.x               00000000004440E9  Unknown               Unknown  Unknown
I will list the input files as following:
the first input file for scf:
&control
    calculation        = 'scf'
    restart_mode       = 'from_scratch'
    prefix             = 'fese'
    pseudo_dir         = '/data2/ouyang/software/espresso-5.1/espresso-5.1/pseudo/'
    outdir             = './tempdir/'
/
&system
    ibrav              = 0
    nat                = 4
    ntyp               = 4
    ecutwfc            = 60
    ecutrho            = 600
    occupations        = 'smearing'
    smearing           = 'methfessel-paxton'
    degauss            =  0.02
    nspin              = 2
    starting_magnetization(1) =1
    starting_magnetization(2) =-1
    starting_magnetization(3) =0
    starting_magnetization(4) =0
/
&electrons
    electron_maxstep   = 50
    conv_thr           = 1.0D-14
    mixing_beta        = 0.7
    mixing_mode        = 'plain'
/
ATOMIC_SPECIES
   Fe1    55.845        Fe.pbe-nd-rrkjus.UPF
   Fe2    55.845        Fe.pbe-nd-rrkjus.UPF
   Se1    78.960        Se.pbe-n-rrkjus_psl.0.2.UPF
   Se2    78.960        Se.pbe-n-rrkjus_psl.0.2.UPF
CELL_PARAMETERS {angstrom}
3.754198    0.000000   0.000000
0.000000    3.754198   0.000000
0.000000    0.000000   6.545954
ATOMIC_POSITIONS {crystal}
Fe1   0.750000      0.250000      0.000000
Fe2   0.250000      0.750000      0.000000
Se1   0.750000      0.750000      0.774837
Se2   0.250000      0.250000      0.225163
K_POINTS (automatic)
12 12 6 0 0 0




The second file for phonon calculation:
Electron-phonon coefficients for fese
 &inputph
  tr2_ph=1.0e-14
  alpha_mix=0.3
  prefix='fese'
  fildvscf='fesedv'
  fildrho='drho'
  amass(1)=55.845
  amass(2)=55.845
  amass(3)=78.96
  amass(4)=78.96
  outdir='tempdir'
  fildyn='fese.dyn'
  start_q   = 3
  last_q    = 3
  trans=.true.
  ldisp=.true.
  nq1=2, nq2=2, nq3=2




The third file for calculating the electron_phonon using the saved fildyn and fildvscf :
Electron-phonon coefficients for fese
 &inputph
  tr2_ph=1.0e-14
  alpha_mix=0.3
  prefix='fese'
  fildvscf='fesedv'
  fildrho='drho'
  amass(1)=55.845
  amass(2)=55.845
  amass(3)=78.96
  amass(4)=78.96
  electron_phonon='interpolated'
  el_ph_sigma=0.005
  el_ph_nsigma=20
  outdir='tempdir'
  fildyn='fese.dyn'
  start_q   = 3
  last_q    = 3
  trans=.false.
  ldisp=.true.
  nq1=2, nq2=2, nq3=2




I want to know how to solve the problem. I will be very appreciative for your answer..





 
 
 
 
 
 






 





 





 





 





 





 





 
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