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appalakondaiah created new topic Regarding compatibility of magnetic materials with Wannier tools.
2020-08-05 02:16:09
Dear all,
I would like to know the possibility of wannier tools for ferromagnetic ground state materials. Is it possible ??
If so, my system is Ferromagnetic ground state and I haveĀ ISPIN =2, MAGMOM, LSORBIT = .TRUE. in generating wannier90_hr.dat. My DFT and wannier band structures well-matched together and my occupied states are 40.
After running the wannier tools, I am facing a problem with the below error.
sum(Origin_cell%nprojs), num_wann, num_wann/2
22 52 26
ERROR: Maybe the SOC tags in the SYSTEM is wrongly set
Kindly suggest me the possible solution
regards
Kondaiah
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