Band structure after GW
Posted: Tue Feb 09, 2016 6:43 pm
How to do band structure after a GW calculation?When I did the band structure calculation using the CHGCAR file from the GW step and using the below INCAR, the band structure I got is not the GW but the DFT band structure.
ISTART=1
ICHARGE=11
ISMEAR = 0
SIGMA=0.05
EDIFF = 1E-8
NBANDS=112
NEDOS=1000
EMIN=-20
EMAX=20
ENCUT=300
LSORBIT = .TRUE.
MAGMOM = 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
SAXIS = 0 0 1
The example calculations in vaspwiki suggests the band structure calculation using wannier functions. Can we do band structure after GW without using the wannier function?If so please let mw know the procedure
Thanks
ISTART=1
ICHARGE=11
ISMEAR = 0
SIGMA=0.05
EDIFF = 1E-8
NBANDS=112
NEDOS=1000
EMIN=-20
EMAX=20
ENCUT=300
LSORBIT = .TRUE.
MAGMOM = 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
SAXIS = 0 0 1
The example calculations in vaspwiki suggests the band structure calculation using wannier functions. Can we do band structure after GW without using the wannier function?If so please let mw know the procedure
Thanks