EPW Forum

Dear All,

I am running epw to calculate electron phonon matrix elements.

Before a calculation coarse grid is done, my job exceeds time limit in a cluster.

Is there a way to restart coarse grid calculation?

Thank you in advance.

Hiroyuki Takenaka

Hi Hiroyuki,

I do not think a restart is possible at this stage, you need to have correctly written .epb (or epmatwp) files.

One thing you can avoid re-calculating the following when you re-run;

kmaps = .true.

and

wannierize = .false.

becaues you already have prefix.kmap, prefix.kgmap, prefix.ukk, and prefix.mmn files.

Best,
Hari Paudyal

Dear Hiroyuki Takenaka:

I would like to add a few things to Hari's answers.

As he said, you can't restart calculations in the step of evaluation of e-ph vertex on coarse grids.

Regarding kmaps, this step doesn't require much time in the recent versions of EPW and more importantly, the input of kmaps will be removed in the next versions.
Regarding wannierize, you can reuse prefix.ukk files, but usually this step also doesn't require much time.

Sincerely,

H. Lee

Dear Hari and Lee,

Thank you for your comments.

Best regards,

Hiroyuki Takenaka