I have tried to relax volume of the cell with the command ISIF=3.IBRION=2.Now after the completion of this vasp run,I wanted to plot band str and DOS and so I went with ISTART=1 and ICHARGE=11 with coping IBZKPT to KPOINTS and CONTCAR to POSCAR.But in the output I got some error
" WARNING: dimensions on CHGCAR file are different
ERROR: charge density could not be read from file CHGCAR for ICHARG>10"
Can you please tell me the mistake I have done in the whole process or if I want to relax volume as well as optimize atomic positions and after that if I want to plot DOS,what is the procedure?
volume relaxation
Moderators: Global Moderator, Moderator
-
saswata
- Newbie
- Posts: 14
- Joined: Wed May 02, 2007 11:34 am
- License Nr.: 307
volume relaxation
Last edited by saswata on Mon Jul 30, 2007 2:30 am, edited 1 time in total.
-
support_vasp
- Global Moderator
- Posts: 1817
- Joined: Mon Nov 18, 2019 11:00 am
Re: volume relaxation
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