Uthpala Herath

That would be very helpful. Please send me that so that I can test. Thanks. On Fri, Sep 14, 2018 at 4:05 PM SUN123RAY wrote: > I guess for spin...

Take your time :) On Fri, Sep 14, 2018 at 4:14 PM SUN123RAY wrote: > Yes sure. Please give me some time to upload, > > On Fri, Sep 14,...

Dear Alpin, You could shift the Fermi level with the *fermi *keyword in pyprocar.bandsplot(). E.g - To shift the Fermi energy by 5 eV, set fermi = 5 Best, Uthpala...

Dear Alpin, My bad! For some reason, I thought you were asking about bands. And yes you are correct. It's not there for dos plot. We'll add it in the...

Yes, in the vaspxml.py file, modify the following line: dos_total['energies'] -= self.fermi Set *self.fermi *to the value you want to shift the energies by. Best, Uthpala On Thu, Jan 20,...

You're welcome. Yes, this would work for all since dos_total is used for other quantities as well. Let me know if it works. Best, Uthpala On Thu, Jan 20, 2022...

Dear @bfield1, Thank you for reaching out to us! Yes, the spd_orb function is a remnant from a previous version of the procarparser and is currently not used in parsing....

Dear Bernard, No problem. It's great to have a user community that helps with reporting bugs and provides feedback which leads to making PyProcar better. Yeah, the spd array would...

Dear Ronald, Can you try plotting again with "kdirect=False" in the pyprocar.bandsplot please? Also set the energy limits with elimit=[emin,emax] for an easier comparison. Thanks, Best, Uthpala On Wed, Mar...

Just to confirm we are comparing elk-bands.pdf and the plot you got with kdirect=False, yes? On Wed, Mar 3, 2021 at 2:06 PM Ronald Cohen wrote: > The bands actually...