My question is about Bloch eigenfunction calculated by WIEN2k package. As I
know, the information of the eigenfunctions is saved in two files: case.almblm
and case.radwf: psi_nk(r):
when r is within some atomic sphere, psi_nk(r)=\sum_{lm}(A_{lm} u_l(r)+B_{lm}
u'_l(r))Y_{lm},
when r is within the intersitial region, psi_nk(r)=linear combination of plane
waves.
Then I numerically calculated the norm square of psi_nk: <psi_nk|psi_nk>, I
didn't get 1, and for different nk the result is different.
Thus is the eigenfunction, i.e. Bloch eigenfunction is not normalized in
WIEN2k?
Thnak you!
F.Tang,NJU,China
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