Search found 3 matches

by Suddha
Fri Sep 05, 2014 4:54 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 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
by Suddha
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 ...
by Suddha
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 ...