missing POTCARs
Posted: Fri Apr 26, 2013 10:46 am
Dear all,
we are looking for special POTCAR files:
(1) LDA-PAW POTCAR for Barium(Ba) with 6s-5p-5s-4d(20 electrons) in valence.
(2) LDA-USPP POTCAR for Zinc (Zn) with 4s2 (only 2 electrons) in valence.
(3) HSE-LDA POTCAR for Zinc (Zn) with 3d10-4s2 (12 electrons) in valence.
Are these files anywhere available ?
Best regards
Udo
we are looking for special POTCAR files:
(1) LDA-PAW POTCAR for Barium(Ba) with 6s-5p-5s-4d(20 electrons) in valence.
(2) LDA-USPP POTCAR for Zinc (Zn) with 4s2 (only 2 electrons) in valence.
(3) HSE-LDA POTCAR for Zinc (Zn) with 3d10-4s2 (12 electrons) in valence.
Are these files anywhere available ?
Best regards
Udo