plot flags in wannier90.win and restart wannier90 ---- If the wannier90.win file does not exist VASP will create a default wannier90.win compatible with...
16 KB (2,157 words) - 14:17, 14 November 2019
# For older versions copy wannier90.win.XXX to wannier90.win and use INCAR.WAN as input for vasp NUM_WANN = 3 WANNIER90_WIN = " # use this energy window...
14 KB (1,763 words) - 10:44, 12 June 2024
read correctly NBANDS = 64 ##VASP2WANNIER90 LWANNIER90=.TRUE. Use the wannier90.win file given below which contains all instructions needed to generate the...
7 KB (1,000 words) - 12:41, 3 June 2024
LWRITE_WANPROJ = .TRUE. # write wannier projection file NUM_WANN = 3 WANNIER90_WIN = " num_bands= 96 # because bands 21, 22, 23 do not cross with other...
10 KB (1,434 words) - 08:50, 13 June 2024
will have to provide some instructions for wannier90 as well: wannier90.win (see wannier90.win_start) num_wann=18 num_bands=24 Begin Projections Si:s ; p ;...
7 KB (938 words) - 14:18, 14 November 2019
library mode Use the corresponding wannier90.win.XXX file as input for wannier90 cp wannier90.win.XXX wannier90.win where XXX=PBE, GW0 or HSE and looks...
13 KB (1,631 words) - 15:08, 8 April 2022
