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: 118930
- Thu Sep 04, 2014 5:49 am
- Forum: VTSTTools
- Topic: Usage of split_dos, dosplot.pl for plotting total DOS
- Replies: 3
- Views: 118930
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 ...
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 ...
- Thu Sep 04, 2014 5:46 am
- Forum: VTSTTools
- Topic: Usage of split_dos, dosplot.pl for plotting total DOS
- Replies: 3
- Views: 118930
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 ...
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 ...