I have performed some calculations for a 2D-monolayer using
I run DOS calculations without
LOPTICS = .TRUE.
I found that when I run the
vaspkit, I got the files for optical properties.
Could someone please explain to me, if we are getting the files for optical properties, then how reliable are these files?
ISTART = 1 # ICHARG = 11 # ISYM = 0 PREC = Accurate ENCUT = 550 ISMEAR = 0 SIGMA = 0.1 LREAL = .FALSE. LWAVE = .TRUE. LCHARG = .TRUE. ADDGRID = .TRUE. EDIFF = 1e-6 EDIFFG = -0.02 NSW = 0 LORBIT = 12 NEDOS = 5000 LHFCALC= T AEXX = 0.25 HFSCREEN= 0.2 ALGO = ALL TIME = 0.4