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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