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<div><span></span>Dear all,</div><div> 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.</div><div> 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 <span style="font-size: 10.5pt; line-height: 1.5; background-color: window;">< psi_1 | psi_2 > was also a complex number.</span></div><div><span style="font-size: 10.5pt; line-height: 1.5; background-color: window;"> Could you tell me the reason?</span></div><div><span style="font-size: 10.5pt; line-height: 1.5; background-color: window;"> 2. Is the wavefunction in real space form at Gamma point a series of real number? ( not only for the gamma point only calculation)</span></div><div><span style="font-size: 10.5pt; line-height: 1.5; background-color: window;"> Thanks for your consideration!</span></div><div><span style="font-size: 10.5pt; line-height: 1.5; background-color: window;"><br></span></div><div><span style="font-size: 10.5pt; line-height: 1.5; background-color: window;">Best regards!</span></div><div><span style="font-size: 10.5pt; line-height: 1.5; background-color: window;"><br></span></div><div><span style="font-size: 10.5pt; line-height: 1.5; background-color: window;">Jiqiang Li</span></div><div>Fudan University, China</div><div> </div><div><br></div>
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