order of f orbitals in DOSCAR

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


Moderators: Global Moderator, Moderator

Locked
Message
Author
arnt
Newbie
Newbie
Posts: 3
Joined: Wed Aug 20, 2008 1:36 pm

order of f orbitals in DOSCAR

#1 Post by arnt » Wed Jun 08, 2011 2:02 pm

Dear VASP-users and VASP-admin,

I am trying to analyze in detail DOS of Ce 4f band. Could you please tell me what is the order of f orbitals in the DOSCAR file? (I'm running spin unpolarized calculations) That is, which projections (m quantum number) are represented by last 7 columns in the DOSCAR?

Best wishes,
Sergey
Last edited by arnt on Wed Jun 08, 2011 2:02 pm, edited 1 time in total.

support_vasp
Global Moderator
Global Moderator
Posts: 1817
Joined: Mon Nov 18, 2019 11:00 am

Re: order of f orbitals in DOSCAR

#2 Post by support_vasp » Thu Sep 12, 2024 8:33 am

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP


Locked