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Fat band calculation with HGH

Posted: Wed Jul 22, 2020 6:47 am
by zjuer
Dear All,
Is it possible to do a fat band calculation with HGH pseudopotential? like the attached file.
I found PAW is ok for this purpose. But I have to use HGH in order to simulate alloy with mixalch.
Thanks in advance.

Re: Fat band calculation with HGH

Posted: Sun Jul 26, 2020 5:30 pm
by ebousquet
Dear zjuer,
I don't see it would be a problem with hgh pseudos, but I would advise you to use the latest and well tested pseudos from pseudodojo project, which also require lower ecut than hgh:
Best wishes,