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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