New to VASP...I was trying to get the band decomposed charge density.
Did the following calculations
1. Obtained wavecar file
2. set
ISTART=1
ICHARG=1
LPARD=.TRUE.
KPUSE = 1 2 3
LSEPK=.TRUE.
I do not see PARCHG files at all! Please help
Thanks
k-point decomposed charge density
Moderators: Global Moderator, Moderator
k-point decomposed charge density
Last edited by kamala on Tue May 26, 2009 6:39 pm, edited 1 time in total.
-
- Newbie
- Posts: 46
- Joined: Sun Jul 22, 2007 2:32 pm
- License Nr.: 5-254
- Location: Bilkent University, Ankara, TURKEY
- Contact:
k-point decomposed charge density
You should set ISTART=2
Last edited by metosa on Wed May 27, 2009 1:02 pm, edited 1 time in total.