Hello everyone, when I was using VASP + Wannier90, I kept encountering errors.
WANNIER90_ORBITAL_DEFINITIONS: ERROR: L= 0 M= 0 not implemented before, my wannier90.win is guiding_centres=true num_bands = 32 num_wann = 11 dis_win_min = -10.0 dis_win_max = 6.0 dis_froz_min = -5 dis_froz_max = 3 begin projections Mo:d S:p end projections Only when i set ################## num_bands = 32 num_wann = 17 guiding_centres=true begin projections Mo:s;p;d S:s;pz;px;py end projections ################## It can works . Could you please explain why this error occurs when the s orbital is not set? THANKS! Yours, yatian Ning
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