Search found 415 matches

by hlee
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: 12471

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...
by hlee
Wed Aug 16, 2017 2:52 pm
Forum: Running the code
Topic: two (very) minor issues
Replies: 2
Views: 3618

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
by hlee
Tue Aug 15, 2017 11:09 am
Forum: Running the code
Topic: two (very) minor issues
Replies: 2
Views: 3618

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...
by hlee
Thu Aug 03, 2017 1:56 pm
Forum: General discussion
Topic: augmentation charge term in dipole matrix elements
Replies: 2
Views: 4119

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
by hlee
Thu Aug 03, 2017 12:51 pm
Forum: General discussion
Topic: augmentation charge term in dipole matrix elements
Replies: 2
Views: 4119

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...