[QE-developers] Some questions about PAW method

杨 冬 yangdong297056853 at hotmail.com
Wed Aug 17 11:23:25 CEST 2022


Hi, all,

Is there any way to construct all-electron Kohn-Sham potentials(i.e. Veff(r)) when using PAW method? I'm not sure whether equation(41) in 10.1103/PhysRevB.50.17953 is correct in Kresse-Joubert scheme.

Best regards,

Dong Yang
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