Search found 5 matches

by bhundaag
Wed Jul 19, 2023 7:22 pm
Forum: General discussion
Topic: q-point error in mobility calculation
Replies: 6
Views: 27563

Re: q-point error in mobility calculation

Hi, The epw.in file is in the following. Please note that this input file is for a restart run to calculate the mobility values. The first epw run for wannierization ran well and the interpolated band structures are satisfactory. &inputepw prefix = 'MoS2' outdir = './' elph = .true. epbwrite ...
by bhundaag
Sat Jul 15, 2023 6:55 am
Forum: General discussion
Topic: q-point error in mobility calculation
Replies: 6
Views: 27563

Re: q-point error in mobility calculation

Hi, Although the initial error has been overcome following your suggestion, a new error has emerged now. The error is the following- forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source epw.x 00000000012EB099 Unknown Unknown Unknown epw.x 00000000012E996E Unknown ...
by bhundaag
Sat Jul 15, 2023 6:20 am
Forum: General discussion
Topic: How to incorporate electron-phonon coupling into lattice thermal conductivity calculation
Replies: 0
Views: 48713

How to incorporate electron-phonon coupling into lattice thermal conductivity calculation

Dear All, I am trying to find out the electron-phonon coupling strength of a two-dimensional system and subsequently incorporate that into the calculation of lattice thermal conductivity, specifically at high temperatures. Precisely, I want to look at the reduction in the lattice thermal ...
by bhundaag
Sat Jul 15, 2023 6:14 am
Forum: General discussion
Topic: q-point error in mobility calculation
Replies: 6
Views: 27563

Re: q-point error in mobility calculation

Thank you very much. It worked.
by bhundaag
Thu Jul 13, 2023 5:54 pm
Forum: General discussion
Topic: q-point error in mobility calculation
Replies: 6
Views: 27563

q-point error in mobility calculation

Dear All, In an EPW restart calculation in order to calculate the electronic mobility of a two-dimensional system I faced the following error- Error in routine tau_read (1): Error: The current total number of q-point is not the same as the read one. Your help to find out the reason behind this error ...