Wave function phases
Posted: Wed Jul 05, 2023 3:45 pm
Dear developers,
I have a question concerning the wave function phases.
In line 84-88, it seems like you are unfolding the wavefunctions from the IBZ by applying a spin-symmetry operation and rotating the G-basis. Is this correct?
In line 106-109 it seems that if S1^(-1) * S2 is a symmetry that is NOT a symmetry in the star of k you compute the phase by a dot product of two wavefunctions. Can you elaborate on this?
Why is the phase equal to 1 if S1^(-1) * S2 is a symmetry that is not a symmetry in the star of k.
Furthermore there is an if-statement, namely: could you explain what this means?
Thanks in advance.
Best,
Franz
I have a question concerning the wave function phases.
In
Code: Select all
src/wf_and_fft/WF_apply_symm.F
In
Code: Select all
"src/bse/K_WF_phases.F"
Why is the phase equal to 1 if S1^(-1) * S2 is a symmetry that is not a symmetry in the star of k.
Furthermore there is an if-statement, namely:
Code: Select all
if (.not.PAR_IND_WF_linear%element_2D(i_b,i_k)) cycle
Thanks in advance.
Best,
Franz