Hello everyone. I want to find the wavefunction phase of a particular band for Na3Bi. Because this material has a strong spin orbit coupling, I set noncolin = .true. and lspinorb = .true.
Unfortunately, because noncolin = .true., I cannot use lsign = .TRUE. to find the wavefunction phase. Are there alternatives to find the wavefunction phase for noncollinear calculations? For what it is worth, I have included the input file I used to determine a particular band's phase based on the noncollinear calculation: &INPUTPP prefix ='pwscf', !Prefix of files saved by program pw.x filplot = 'Na3Bi_110_slab5_k1_b422', !file "filplot" contains the quantity selected by plot_num plot_num = 7,! contribution of selected wavefunction(s) to the (pseudo-)charge density. kpoint = 1, kband = 422, lsign = .TRUE. / &PLOT nfile= 1, filepp(1)='Na3Bi_110_slab5_k1_b422', weight(1)= 1.0, iflag= 3, output_format=6, fileout='Na3Bi_110_slab5_k1_b422.cub' / Thank you very much for your time.
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