Dear Prof. Samuel
I have similar error. which .f90 code I have to recompile? I could not see readdvscf.f90 in EPW/src/. Thank you.
Sincerely, Zegnet
Search found 15 matches
- Tue May 18, 2021 3:53 am
- Forum: Running the code
- Topic: read dvscf error
- Replies: 14
- Views: 11328
- Mon May 17, 2021 9:37 pm
- Forum: Running the code
- Topic: read dvscf error
- Replies: 14
- Views: 11328
Re: read dvscf error
Dear jiachen
I have similar error. which .f90 code I have to recompile? I could not see readdvscf.f90 in EPW/src/. Thank you.
Sincerely, Zegnet
I have similar error. which .f90 code I have to recompile? I could not see readdvscf.f90 in EPW/src/. Thank you.
Sincerely, Zegnet
- Mon May 17, 2021 2:56 pm
- Forum: Running the code
- Topic: Error in routine epw_setup (1): coarse k-mesh needs to be strictly positive in 1st BZ
- Replies: 2
- Views: 2221
Re: Error in routine epw_setup (1): coarse k-mesh needs to be strictly positive in 1st BZ
Dear Hari Paudyal
Thank you very much! Your suggestion works. Indeed, the number of k points were different in nscf.in and nscf.out. I have come up with a different error but I am trying to solve it before posting here.
Sincerely, Zegnet
Thank you very much! Your suggestion works. Indeed, the number of k points were different in nscf.in and nscf.out. I have come up with a different error but I am trying to solve it before posting here.
Sincerely, Zegnet
- Fri May 14, 2021 5:17 pm
- Forum: Running the code
- Topic: Error in routine epw_setup (1): coarse k-mesh needs to be strictly positive in 1st BZ
- Replies: 2
- Views: 2221
Error in routine epw_setup (1): coarse k-mesh needs to be strictly positive in 1st BZ
Dear All I hope everyone is doing great. I was running el_phonon calculation for ibrav=4 using epw. However, the calculation crashed on the epw step with the error " Error in routine epw_setup (1): coarse k-mesh needs to be strictly positive in 1st BZ". I have generated a positive definite grid (6x6...
- Tue May 11, 2021 3:40 pm
- Forum: General discussion
- Topic: Starting projection for wannerization of BiTeI
- Replies: 1
- Views: 1731
Starting projection for wannerization of BiTeI
Dear All
I hope everyone is doing great. I am new to EPW and I want to do electron-phonon calculation for BiTeI. What starting projections shall I use for Bi, Te, and I excluding the simplest random projection? Thank you.
Sincerely, Zegnet
I hope everyone is doing great. I am new to EPW and I want to do electron-phonon calculation for BiTeI. What starting projections shall I use for Bi, Te, and I excluding the simplest random projection? Thank you.
Sincerely, Zegnet