Hello Sir,
I am using LORBIT=1. For DOS, the added tags in the INCAR file are as given below
LORBIT = 1
RWIGS = 1.588 1.588 1.111
Thank you
Suddhasattwa
Search found 3 matches
- Fri Sep 05, 2014 4:54 am
- Forum: VTSTTools
- Topic: Usage of split_dos, dosplot.pl for plotting total DOS
- Replies: 3
- Views: 17454
- Thu Sep 04, 2014 5:49 am
- Forum: VTSTTools
- Topic: Usage of split_dos, dosplot.pl for plotting total DOS
- Replies: 3
- Views: 17454
Re: Usage of split_dos, dosplot.pl for plotting total DOS
Hello Users, I forgot to mention that my VASP run was for a non-collinear calculation but for an anti-ferromagnetic system. I used the following INCAR file for the spins ISMEAR = 1 SIGMA = 0.2 LREAL = AUTO NPAR = 6 ISYM = 0 LSORBIT= .TRUE. LNONCOLLINEAR = .TRUE. SAXIS = 0 0 1 MAGMOM = 0 0 -5 0 0 5 0...
- Thu Sep 04, 2014 5:46 am
- Forum: VTSTTools
- Topic: Usage of split_dos, dosplot.pl for plotting total DOS
- Replies: 3
- Views: 17454
Usage of split_dos, dosplot.pl for plotting total DOS
Hello Users, I am a new member of this group and trying to plot the total DOS for my system. My system consists of 32 atoms per primitive, 4 of them being U atoms. Firstly, may I kindly know if there any restrictions with regard to f elements for splitting the DOSCAR file into DOSn files. I understa...