[Pw_forum] How to do virtual crystal approximation for paw pesudopotential?

Lorenzo Paulatto paulatto at sissa.it
Wed Dec 2 09:50:11 CET 2009


Replying to message "[Pw_forum] How to do virtual crystal approximation  
for paw pesudopotential?" from yuning wu (02/12/09):
>     In virtual.f90, there is nothing about the PAW pesudopotential. I am
> curious why not add that part in. Is it hard in some way?

Dear Yuning Wu,
virtual+paw is just not implemented. It shouldn't be too hard to  
implement, but you either have to do it yourself or wait for someone else  
to need it. If you are going to do it, feel free to ask me if you need  
some detail on the inner mechanisms of the code.

best regards


-- 
Lorenzo Paulatto
SISSA  &  DEMOCRITOS (Trieste)
phone: +39 040 3787 511
skype: paulatz
www:   http://people.sissa.it/~paulatto/

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