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/ *** save italian brains *** http://saveitalianbrains.wordpress.com/
