From ytningopt at outlook.com  Tue Dec 23 08:36:02 2025
From: ytningopt at outlook.com (=?gb2312?B?xP4g0cXM8Q==?=)
Date: Tue, 23 Dec 2025 07:36:02 +0000
Subject: [Wannier] An ERROR exist when using wannier90
Message-ID: <MW4PR20MB5471BE69E11E36F85C892B26B4B5A@MW4PR20MB5471.namprd20.prod.outlook.com>

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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