[Pw_forum] lambda.x crshers with error (unit = 4, file = 'elph_dir/elph.inp_lambda.1)

[Kondaiah Samudrala]

Dear all,

I'm trying to do electron phonon calculation on monolayer transition
Metal chalcogens
When I try to calculate Tc using lambda.x (version PWSCF-5.3) i get this error:

At line 116 of file lambda.f90 (unit = 4, file = 'elph_dir/elph.inp_lambda.1')
Fortran runtime error: Bad value during floating point read

and empty file fort.4 shows up in my working folder.


12  0.12  0    ! emax (something more than highest phonon mode in THz),
degauss, smearing method
 10          ! Number of q-points for which EPC is calculated,
 0.000000      0.000000      0.000000   1.00  !
 0.072823      0.126134      0.000000   6.00  !
 0.145647      0.252267      0.000000   6.00  !
 0.218470      0.378401      0.000000   6.00  !
 -0.291293     -0.504535      0.000000   3.00  !
 0.218470      0.126134      0.000000   6.00  !
 0.291293      0.252267      0.000000   12.00  !
 0.364117      0.378401      0.000000   12.00  !
 0.436940      0.252267      0.000000   6.00   !
 0.509763      0.378401      0.000000   6.00   !
elph_dir/elph.inp_lambda.1 ! elph output file names,
elph_dir/elph.inp_lambda.2 ! in the same order as the q-points before
elph_dir/elph.inp_lambda.3
elph_dir/elph.inp_lambda.4
elph_dir/elph.inp_lambda.5
elph_dir/elph.inp_lambda.6
elph_dir/elph.inp_lambda.7
elph_dir/elph.inp_lambda.8
elph_dir/elph.inp_lambda.9
elph_dir/elph.inp_lambda.10
0.10                     ! \mu the Coloumb coefficient in the modified
                         ! Allen-Dynes formula for T_c (via \omega_log)

Any thing missing in my input ??? (PS: All my phonon frequencies are
positive) Suggest me something and thanks in advance

with best regards
S. Appalakondaiah
Postdoctoral scholar
HINT, SKKU,
South Korea
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