Search found 4 matches

by timonmosko
Fri Dec 08, 2023 10:36 am
Forum: General discussion
Topic: Epw becomes silent after a2f calculation in the Eliashberg case
Replies: 2
Views: 14781

Re: Epw becomes silent after a2f calculation in the Eliashberg case

Dear Hitoshi, in a meanwhile I have managed to solve the problem. Actually, code was not stopping, the problem was in the density of the grid I have used for scf and phonon calculations together with quite hight ecutoff. So, epw was calculating all of the files, but it took hours, which I did not ex...
by timonmosko
Sat Dec 02, 2023 9:00 pm
Forum: General discussion
Topic: Epw becomes silent after a2f calculation in the Eliashberg case
Replies: 2
Views: 14781

Epw becomes silent after a2f calculation in the Eliashberg case

Dear epw experts, I am trying to calculate anisotropic superconducting gap of NbSe2 monolayer. In the eliashberg calculation I bump into the problem with calculation of spectral function. I do not use special flag for a2f, I follow the way used in hands-on tutorial from this year (https://docs.epw-c...
by timonmosko
Sun Aug 13, 2023 1:37 pm
Forum: Running the code
Topic: NaN sup. gap in Pade approximation
Replies: 1
Views: 14231

NaN sup. gap in Pade approximation

Dear epw experts, recently I have been trying to calculate superconducting properties of NbSe2 using epw code. It seems that there is no problem to calculate the imaginary part of gap , but the real one (in Pade approx.) always ends as NaN regardless the npade parameter (I have tried different value...
by timonmosko
Fri Aug 11, 2023 8:07 am
Forum: Running the code
Topic: NaN anisotropic super. gap in Pade approx and crash
Replies: 0
Views: 38860

NaN anisotropic super. gap in Pade approx and crash

Dear epw experts, I am trying to calculate anisotropic super. gap for NbSe2 using epw code. After successful wannierization and calculation of el. spectral function program attempts to calculate imaginary ale real part of gap for set of temperatures. However, it fails to calculate the real part end ...