[Wannier] An ERROR exist when using wannier90

[宁 雅恬]

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



-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/wannier/attachments/20251223/fe0ce66d/attachment.html>