<div dir="ltr"><div><div><div><div><div><div><span style="font-family:arial,helvetica,sans-serif">Dear all, <br></span><pre><span style="font-family:arial,helvetica,sans-serif">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')<br>Fortran runtime error: Bad value during floating point read<br>
and empty file fort.4 shows up in my working folder.</span></pre><br>12 0.12 0 ! emax (something more than highest phonon mode in THz), degauss, smearing method <br> 10 ! Number of q-points for which EPC is calculated, <br> 0.000000 0.000000 0.000000 1.00 ! <br> 0.072823 0.126134 0.000000 6.00 ! <br> 0.145647 0.252267 0.000000 6.00 !<br> 0.218470 0.378401 0.000000 6.00 ! <br> -0.291293 -0.504535 0.000000 3.00 !<br> 0.218470 0.126134 0.000000 6.00 !<br> 0.291293 0.252267 0.000000 12.00 !<br> 0.364117 0.378401 0.000000 12.00 !<br> 0.436940 0.252267 0.000000 6.00 !<br> 0.509763 0.378401 0.000000 6.00 !<br>elph_dir/elph.inp_lambda.1 ! elph output file names,<br>elph_dir/elph.inp_lambda.2 ! in the same order as the q-points before<br>elph_dir/elph.inp_lambda.3<br>elph_dir/elph.inp_lambda.4<br>elph_dir/elph.inp_lambda.5<br>elph_dir/elph.inp_lambda.6<br>elph_dir/elph.inp_lambda.7<br>elph_dir/elph.inp_lambda.8<br>elph_dir/elph.inp_lambda.9<br>elph_dir/elph.inp_lambda.10<br>0.10 ! \mu the Coloumb coefficient in the modified<br> ! Allen-Dynes formula for T_c (via \omega_log)<br><br></div>Any thing missing in my input ??? (PS: All my phonon frequencies are positive) Suggest me something and thanks in advance<br><br></div>with best regards<br></div>S. Appalakondaiah<br></div>Postdoctoral scholar<br></div>HINT, SKKU,<br></div>South Korea<br><div><div><br></div></div></div>