[QE-users] Some questions about pw2wannier90

曹志鹏 cz7989 at 163.com
Wed Feb 20 10:53:55 CET 2019


Dear all,
    With QE6.3, I want to make sure that whether 'write_dmn = .true.' in the input of pw2wannier90 is invalid when soc is opened ('lspinorb = .true.' for pw.x). I tried this and it reported 'non-collinear not implemented...'.
    My purpose is to construct symmetry-adapted wannier functions for some materials with soc but non-magnetic. If it's really implemented, is there any other DFT code has interface to Wannier90 can meet my requirement.
    Thanks in advance!
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