[Pw_forum] A question of projwfc.x

[Pang Rui]

Dear all
I want use the KS orbitals expanded in AO basis to do something. In the
standard output of pwjwfc.x, there are several 

psi = 0.186*[#   0]+.....

But I found that the so called psi was in fact |psi|^2, because sum of the
coefficients is equal to |psi|^2. Thus the phase factor is missing.And I
noticed that in the projwfc.f90, the coefficients before the AO lables are
from proj(nwfc,ibnd,ik) which is calculated by 

proj(nwfc,ibnd,ik)=abs(proj0(nwfc,ibnd))**2

So if I record the proj0(nwfc,ibnd) in every k, can I use them as the
coefficients of AO to approximate the KS orbital? Is the phase factor kept
in the process of calculating proj0(nwfc,ibnd)?

Thanks for any discussion.

-- 
PostDoc
Department of Physics, South University of Science and Technology of China