[Pw_forum] How to read two wave-functions in one program?

[Paolo Giannozzi]

On Mar 16, 2011, at 1:11 , xuhui luo wrote:
>
> But what I would like to do is to taking inner product of (n,k)
> from one structure and (n',k') from another perturbed structure.
> Thus I need to read two set of wavefunction at the same time.
> Do you have suggestions to deal with this situation?

>

save wavefunctions in real space. It will be much easier:
no problems with ordering of k+G vectors

P.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222