Search found 415 matches
- Wed Sep 20, 2017 1:22 pm
- Forum: General discussion
- Topic: Why gap vs temperature is not the same as tutorial of MgB2?
- Replies: 13
- Views: 12498
Re: Why gap vs temperature is not the same as tutorial of Mg
Dear Samuel: I have very minor issues and questions related to your answers above: (1) When restarting in the step of Eliashberg stuff, you indicate that we need to set as follows: elph = .false. kmaps = .true. epbwrite = .false. epbread = .false. epwwrite = .false. epwread = .true. wannierize = .fa...
- Wed Aug 16, 2017 2:52 pm
- Forum: Running the code
- Topic: two (very) minor issues
- Replies: 2
- Views: 3632
Re: two (very) minor issues
Dear Samuel Ponc:
Thank you for your reply and for giving me useful advice for scalability in EPW.
Sincerely,
Hyungjun Lee
Thank you for your reply and for giving me useful advice for scalability in EPW.
Sincerely,
Hyungjun Lee
- Tue Aug 15, 2017 11:09 am
- Forum: Running the code
- Topic: two (very) minor issues
- Replies: 2
- Views: 3632
two (very) minor issues
Dear developers: I would like to report two very minor issues as follows: (1) When iverbosity=2 and nbndfs>10, the cube files with the band index greater than 10 are overwritten due to the formatted output with "i1". You can find these cases in the files of eliashberg_setup.f90 and eliashb...
- Thu Aug 03, 2017 1:56 pm
- Forum: General discussion
- Topic: augmentation charge term in dipole matrix elements
- Replies: 2
- Views: 4129
Re: augmentation charge term in dipole matrix elements
After checking the website, I realised that support of USPP will be done in the next release (v4.3); I checked the version of 4.2.
Sorry for inconveniences.
Sincerely,
Hyungjun Lee
Postdoc in EPFL
Sorry for inconveniences.
Sincerely,
Hyungjun Lee
Postdoc in EPFL
- Thu Aug 03, 2017 12:51 pm
- Forum: General discussion
- Topic: augmentation charge term in dipole matrix elements
- Replies: 2
- Views: 4129
augmentation charge term in dipole matrix elements
Dear developers: I have one simple question on calculation of dipole matrix elements in the Bloch representation. I found that this calculation is done in the subroutine of compute_pmn_para in pw2wan90epw.f90. Well, unlike in the calculation of Amn and Mmn, it seems that the terms of augmentation ch...