EPW Forum

Dear developers and experts

I have a question regarding elecself, phonselfen, and a2f function calculation.

In the diamond example, in the epw.in file, only phonselfen=.true. and elecself and a2f are false. And in epw2.in we calculate elecselfen.

My question is, if I want to calculate all elecselfen, phonselfen, and a2f, can I keep elecselfen=.true., phonselfen=.true. and a2f=.true. in epw.in and calculate all the 3 files together? Or is it a necessity to run separate epw.in and epw2.in as it is in diamond example?

My actual calculation is big and time consuming, thus wanted to make sure whether we really need two runs.

Thank you for your support

Inoka

Dear Inoka,

I'm not an expert but: you can set all three to .true. directly, at least that is what is done in other tests (see for example the SiC example). However, if your calculation is time consuming and you need to use the restart feature, you can only compute the electronic self-energy for now (the others are not implemented yet, but you can give it a try). It you don't have a too short time limit then it is fine. This post might interest you : http://epwforum.uk/viewtopic.php?f=6&t=408.

Best,
Guillaume