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Issue with nonlinear core correction in PPs

Posted: Tue Feb 10, 2015 1:19 pm
by hlee
Dear Developers:

Could Yambo deal with pseudopotentials (PPs) with nonlinear-core correction (NLCC)?
If so, how does Yambo treat PPs with NLCC? For example, which file is responsible for this functionality?

Sincerely,

Re: Issue with nonlinear core correction in PPs

Posted: Wed Feb 11, 2015 10:40 am
by Davide Sangalli
Dear Hyungjun Lee,
yambo does not deal with the NLCC.

If you try to use a pseudo-potentials with NLCC the code will run but the NLCC will be simply neglected.

Best,
D.

Re: Issue with nonlinear core correction in PPs

Posted: Wed Feb 11, 2015 11:10 am
by hlee
Dear Davide Sangalli:

Thank you very much for your reply.
I will instead use PPs with the semi-core states.

Sincerely,