Queries about input and output files, running specific calculations, etc.
Moderators: Global Moderator, Moderator
-
AB
- Newbie
- Posts: 3
- Joined: Mon Sep 13, 2010 1:13 pm
#1
Post
by AB » Wed Sep 15, 2010 12:43 pm
I would like to calculate cobalt hcp structure - what I should choose - Gamma or MP scheme?
Last edited by
AB on Wed Sep 15, 2010 12:43 pm, edited 1 time in total.
-
alex
- Hero Member
- Posts: 593
- Joined: Tue Nov 16, 2004 2:21 pm
- License Nr.: 5-67
- Location: Germany
#2
Post
by alex » Mon Sep 20, 2010 7:59 am
Gamma. The MP set does not fit to hexagonal symmetry normally. Just try it. You can start vasp and examine the k-point meshes. Completely nuts in the MP case. :-)
Cheers,
alex
Last edited by
alex on Mon Sep 20, 2010 7:59 am, edited 1 time in total.