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Date: 2015-04-17 14:07
To: 'PWSCF Forum'
Subject: Re: [Pw_forum] About wavefunction
Dear Jiqiang Li,
1) If you compute <psi_i|psi_j> at the same point then the result is
delta_ij. If the bands are different at the same kpoint then you will get zero
for this value.
If you are o
Subject: [Pw_forum] About wavefunction
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 sho
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 > =
