Hello All,
I want to make a cluster whose symmetry is icosahedron. When i do an MD run the symmetry is disturbed,and I am not getting ground state minimisation. What should be done for this? my INCAR file is as follows
System = (Pd)13
ISTART = 0
NELMIN = 8
EDIFF = 1E-8
EDIFFG = -0.0001
NSW = 100
MAXMIX = 80
IBRION = 0
POTIM = 2.0
NFREE = 10
ISMEAR = 0
Thanks in advance
MD for icosahedron
Moderators: Global Moderator, Moderator
-
M Dave
- Newbie
- Posts: 15
- Joined: Tue Dec 04, 2012 7:42 am
MD for icosahedron
Last edited by M Dave on Mon Jan 21, 2013 2:35 pm, edited 1 time in total.
-
support_vasp
- Global Moderator
- Posts: 1817
- Joined: Mon Nov 18, 2019 11:00 am
Re: MD for icosahedron
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