[Pw_forum] Two problems for pseuodopotential choosing

Stefano de Gironcoli degironc at sissa.it
Mon May 9 09:36:29 CEST 2005

In a non-local pseudopotential  in the KB form (the one used by ESPRESSO 
the angular momentum dependent part of the PP is described in term of 
Each projector carries an angular momentum label to which it applies.

If you want to generate a local pseudopotential you can do it using zero 
An example of such local pseudopotentials are H.blyp-vbc.UPF and 
in  http://www.pwscf.net/pseudo.htm

However,  reasonably accurate local pseudopotentials can be obtained for 
few elements.

stefano de Gironcoli

wjyin at fudan.edu.cn wrote:

>    The other is,
>    Is there any input parameter which determins the maximum angle 
>momentum for used pseudopotential. For a simple example, I just want 
>to use l=0 pseudopotential for all valence electrons calculation.

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