[Pw_forum] pseudopotential

[Paolo Giannozzi]

On Nov 5, 2010, at 22:02 , wumindt2 wrote:

> C.pbe-rrkjus.UPF and O.pbe-rrkjus.UPF

ultrasoft

> C.pbe-mt_gipaw.UPF and O.pbe-van_gipaw.UPF

norm-conserving, and quite hard. A cutoff that is appropriate for the
former may ot be sufficient for the latter. This is the first thing  
to be
verified.

P.
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Paolo Giannozzi, Dept of Chemistry&Physics, Univ. Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222