[Wannier] How to select projections?

[wangzongyi at mail.ustc.edu.cn]

Dear all

I am puzzle in how to write the parameter of select_projections when calculate the valance band. This is part of the program given by Wannier90 tutorial_12

begin projections

!! !! Bond-centred s-orbitals


f=-0.125,-0.125, 0.375:s


f= 0.375,-0.125,-0.125:s


f=-0.125, 0.375,-0.125:s


f=-0.125,-0.125,-0.125:s


!! !! Atom-centred sp3-orbitals


Si:sp3


end projections


!! (1) Valence bands


num_wann        =   4


select_projections 1 2 3 4


dis_froz_max    =   6.5


dis_win_max     =   6.5


!! !! (2) Valence + conduction bands

!! num_wann        =   8

!! select_projections 5-12

!! dis_froz_max    =   6.5

!! dis_win_max     =  17.0


I can't understand why the program select select_projections 1 2 3 4 when calculating valance band, while choose select_projections 5-12 to calculate valence and conduction bands? Which file can tell me the mean of the labels, so that I can write select_projections correctly?


Could you please help me? Thank you very much!




Zongyi Wang


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