[Pw_forum] fhi98PP lloc

Paolo Giannozzi giannozz at nest.sns.it
Wed Apr 26 20:40:00 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
formats ... 

Paolo
-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy



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