[QE-users] Fortran runtime error in lambda.x calculation

Bharat Thapa bhathapa at gmail.com
Fri Feb 14 09:24:12 CET 2020


Hello QE users and developers,

While running lambda.x I get the following error:






*At line 60 of file lambda.f90 (unit = 5, file = 'stdin')At line 60 of file
lambda.f90 (unit = 5, file = 'stdin')Fortran runtime error: End of fileAt
line 60 of file lambda.f90 (unit = 5, file = 'stdin')Fortran runtime error:
End of fileFortran runtime error: End of file*

Until here i.e. from scf (pw.x) to matdyn.x calculation, everything else is
fine. The input looks like this:




















*18 0.12 1    ! emax (something more than highest phonon mode in THz),
degauss, smearing method 8          ! Number of q-points for which EPC is
calculated, 1 0.0000000 0.0000000 0.0000000 1.00   ! the first q-point, use
kpoints.x program to calculate 2 -0.2500000 -0.2500000 0.2500000 8.00 !
q-points and their weight 3 -0.5000000 -0.5000000 0.5000000 4.00 4
0.0000000 0.0000000 0.5000000 6.00 5 -0.2500000 -0.2500000 0.7500000
24.00 6 -0.5000000 -0.5000000 1.0000000 12.00 7 0.0000000 0.0000000
1.0000000 3.00 8 -0.5000000 0.0000000 1.0000000
6.00elph_dir/elph.inp_lambda.1 ! elph output file
names,elph_dir/elph.inp_lambda.2 ! in the same order as the q-points
beforeelph_dir/elph.inp_lambda.3elph_dir/elph.inp_lambda.4elph_dir/elph.inp_lambda.5elph_dir/elph.inp_lambda.6elph_dir/elph.inp_lambda.7elph_dir/elph.inp_lambda.80.10
                    ! \mu the Coloumb coefficient in the modified
               ! Allen-Dynes formula for T_c (via \omega_log)*

Please help me resolve this problem.
Along with this, could you also tell me which value of lambda to use? The
code will calculate lambda and Tc for different broadening. So, which one
is to choose?

Regards,

*Bharat Thapa*
*PhD student*
*University of New South Wales*
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