dis_conv_window = 3dis_num_iter = 1000#guiding_centres = .true.#write_hr = true#spinors = .true. #如果有soc需要打开,并且将投影的数目×2 修改KPOINTS文件: K-Spac0Gamma 14 20 2 # 3个数字需要为偶数0.0 0.0 0.0 使用vasp/5.4.4.wannier90_2.1进行投影vasp_ncl 投影完成后 再使用wannier90...
min of outer window dis_win_min = -2.0 dis_win_max = 12.0 !inner - dis_froz_min = -2.0 dis_froz_max = 9.0 #dis_mix_ratio = 0.50 #dis_conv_tol = 1e-8 write_hr =.true. #hr_plot = .true. spinors = .true. begin projections Bi : px; py; pz Se : px; py; pz end pr...
The structure is strained cubic GaP. num_wann = 9 num_bands = 9 guiding_centres = .true. num_iter = 200 conv_window = 5 conv_tol = 1.0d-10 begin atoms_frac Ga 0.00 0.00 0.00 P -0.25 -0.25 -0.25 end atoms_frac begin projections Ga:d Ga:sp...