Dear all,
1. In Quantum Espresso, do wavefunction in real space form at the same k
point share the same phase? i.e., psi_1(r) = A(r)exp(ikr) and
psi_2(r)=B(r)exp(ikr), psi_1 and psi_2 belong to different bands at same k
point.
If so, we should find the vaule < psi_1 | psi_2 > =
A(r)exp(-ikr)*B(r)exp(ikr)=A(r)B(r), which is a series of real number. However,
I output the wavefunctions and found < psi_1 | psi_2 > was also a complex
number.
Could you tell me the reason?
2. Is the wavefunction in real space form at Gamma point a series of real
number? ( not only for the gamma point only calculation)
Thanks for your consideration!
Best regards!
Jiqiang Li
Fudan University, China
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