Hello admin,
I am using LORBIT = 10 (or 11) and I set NPAR to be 1 and I am using PAW PP.
For some reason site-projected DOS is not getting written to my DOSCAR file. I am wondering if I am doing something wrong?
My INCAR reads as:
title
ICHARG = 11
LREAL = Auto
LWAVE = .TRUE.
LVTOT = .FALSE.
LCHARG = .TRUE.
ADDGRID = .FALSE.
LSORBIT = .FALSE.
LHFCALC = .FALSE.
ENCUT = 220
EDIFF = 1e-07
EDIFFG = 1e-4
ISMEAR = 0
SIGMA = 0.005
NSW = 0
IBRION = -1
NELMIN = 2
NPAR = 1
LORBIT = 11
ALGO = Fast
Site-projected DOS not written in DOSCAR?
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Re: Site-projected DOS not written in DOSCAR?
Hi,
We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.
Best wishes,
VASP