[Pw_forum] nbnd and semicore in PP

[Paolo Giannozzi]

Lorenzo Paulatto wrote:
> ski2 at mail.uh.edu ha scritto:
>> Dear All,
>>
>> I am wondering if I use PP containing semicore states in valence 
>> state, do I need to count the bands of the semicore states and add 
>> into "nbnd"?
> Yes, you have to.

unless you are happy with the default value calculated by the code

Paolo
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy