How do i calculated PDOS

Queries about input and output files, running specific calculations, etc.


Moderators: Global Moderator, Moderator

Post Reply
Message
Author
naresh124
Newbie
Newbie
Posts: 6
Joined: Wed Jan 18, 2012 12:26 pm

How do i calculated PDOS

#1 Post by naresh124 » Sat Jul 14, 2012 8:49 pm

Dear VASP users,

i want to calculate PDOS for a material which contains three atoms like C,B and N. I performed a spin polarization calculation,i found that DOSCAR file contains information of s,p,d and f orbitals. how can i calculate PDOS by using this information.

yours sincerly
Last edited by naresh124 on Sat Jul 14, 2012 8:49 pm, edited 1 time in total.
Top
admin
Administrator
Administrator
Posts: 2921
Joined: Tue Aug 03, 2004 8:18 am
License Nr.: 458

How do i calculated PDOS

#2 Post by admin » Mon Jul 16, 2012 10:45 am

Use p4vasp
www.p4vasp.at
Last edited by admin on Mon Jul 16, 2012 10:45 am, edited 1 time in total.
Top
Post Reply

Return to “Using VASP”