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

xuhui luo luoxuhui at uic.edu
Wed Mar 16 01:11:58 CET 2011


Dear Paolo Giannozzi,

Thanks for your reply. I just looked at bands.f90. The purpose of
bands.f90 is to check the band correspondence by taking inner product
of (n,k) and (n',k') states in one structure. 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? Thank you!

>it depends upon what exactly you need. You may try to take
>inspiration from code PP/bands.f90, which does something similar

Xuhui Luo

University of Illinois at Chicago and NIST



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