[Pw_forum] fhi98PP lloc
giannozz at nest.sns.it
Wed Apr 26 20:41:20 CEST 2006
On Wednesday 26 April 2006 19:51, Andrea Floris wrote:
> Question: in the output of pwscf for Ca results lloc=0.
> I do not understand this, I was expecting lloc=2...
I am afraid that the printed value for lloc does not correspond
to anything sensible, except for obsolete pseudopotential
Paolo Giannozzi e-mail: giannozz at nest.sns.it
Scuola Normale Superiore Phone: +39/050-509876, Fax:-563513
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