temperature array eptemp(:)

[NFH]

Dear all,

I want to calculate temperature dependent el. linewidths at certain k-points. To efficiently do so, it would be useful to just vary the "Fermi-temperature" and keep the matrix-elements in the memory. It seemed to be possible with eptemp(:) being an array of temperatures to be looped over. However this feature was uncommented in epw_readin.f90 in the latest release. What was the specific reason to get rid of that? Is there a smart workaround?

Any input is appreciated,

thanks Nicki
CAMd, Lyngby

[sponce]

Dear Nicki,

The main reason was that the way it was implemented could make the memory explode for some system (with a lot of temperatures).
In addition it was an extra outer loop in a couple routine that add a bit of mess.

I found (at least for my need) that you usually only want a few temperature and it was not an issue to restart.

It should be rather easy for you to re-add this feature by adding an outer loop in selfen_elec.f90, selfen_phon.f90, spectral_func.f90 etc.

Best,

Samuel