NC-PAW potentials

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NC-PAW potentials

Postby wxiaom86 » Mon Jun 25, 2018 4:00 pm

Hello,

The NC-PAW potentials are very important for GW calculations to get correct band gap, as shown in PRB 90, 075125 (2014) and PR MATERIALS 2 024601 (2018). Where can I get those PAW potentials? It seems they are not in the potPAW library.

Best,
Xiaoming
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Re: NC-PAW potentials

Postby admin » Mon Jul 23, 2018 9:46 am

The NC-PAW potentials are not included in the standard distribution of the PAW potentials.
Please, contact us via email if you need these POTCARs.
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