[Pw_forum] Two problems for pseuodopotential choosing

[Stefano de Gironcoli]

In a non-local pseudopotential  in the KB form (the one used by ESPRESSO 
codes)
the angular momentum dependent part of the PP is described in term of 
projectors.
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 
projectors.
An example of such local pseudopotentials are H.blyp-vbc.UPF and 
H.pz-vbc.UPF
in  http://www.pwscf.net/pseudo.htm

However,  reasonably accurate local pseudopotentials can be obtained for 
very
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.
>    
>  
>