[Pw_forum] Generating a pseudo with semicore states

Lorenzo Paulatto paulatto at sissa.it
Mon Nov 16 10:05:35 CET 2009

> Thanks for the quick response Paolo. I missed it in the documentation,
> thinking incorrectly that the &test section wouldn't have anything to do
> with the construction of the pseudopotential.

It is a bit complicated. The configuration in the test section is (can  
be?) used for descreening the potential. I think it was useful for some  
kind of trick, used to generate semi-core pseudopotentials before the  
multi-projector form was invented.

I would advise you to remove it from the input file completely, because if  
it is present and it has a different configuration than the generation  
one, it is likely to mess up the pseudopotential.


Lorenzo Paulatto
phone: +39 040 3787 511
skype: paulatz
www:   http://people.sissa.it/~paulatto/

     *** save italian brains ***

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