[Pw_forum] Ga 3d core electrons as valence electrons (fhi2upf)
ma Yanming
yanming_ma at hotmail.com
Thu Sep 18 15:52:47 CEST 2003
Hi,
Actually, you do not need to convert UPF format at this moment. After you
generate the PP using FHI, you can simply convert to PWSCF old PP format
using PPc.x. But be sure, no core correction included.
Yanming Ma PhD
Steacie Institute for Molecular Sciences,
National Research Councils of Canada.
100 Sussex
K1A 0R6
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