Re: [Wannier] benzene.mmn has not the right number of bands

2024-06-21 Thread Jerome Jackson
Dear Zongyi Wang, for whatever reason, the num_bands is commented out in this example; wannier90 will default to num_bands = num_wann, which is then inconsistent with the value defining the contents of (and written at the top of) the .mmn file. I guess that if you uncomment num_bands, the ca

[Wannier] benzene.mmn has not the right number of bands

2024-06-19 Thread wangzongyi
Dear expert I am following tutorial12 from Wannier90 website, while I have meet some problem. This is my .win file num_wann= 15 ## Valence + conduction states ## #num_wann= 18 #num_bands = 90 #dis_froz_max= -6.0 #dis_win_max = 4.0 #d