Site-projected DOS not written in DOSCAR?

Problems running VASP: crashes, internal errors, "wrong" results.


Moderators: Global Moderator, Moderator

Locked
Message
Author
5-2274
Newbie
Newbie
Posts: 3
Joined: Thu Oct 29, 2015 3:03 pm
License Nr.: 2274

Site-projected DOS not written in DOSCAR?

#1 Post by 5-2274 » Fri Nov 13, 2015 2:31 am

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

support_vasp
Global Moderator
Global Moderator
Posts: 1817
Joined: Mon Nov 18, 2019 11:00 am

Re: Site-projected DOS not written in DOSCAR?

#2 Post by support_vasp » Tue Sep 10, 2024 2:43 pm

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


Locked