Search found 5 matches
- 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 ...
- 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 ...
- 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 ...
- 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.
- 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 ...