I'm calculate some structure about MD and Static calculation.
My MD option is TEBEG=900, TEEND=0
Then, i check the Energy (Sigma -> 0).
Converge Energy MD= -942.211958
Static = -942.610595
Is this big gap about 0.4??
Question about MD & Static temperature
Moderators: Global Moderator, Moderator
-
ninaj
Question about MD & Static temperature
Last edited by ninaj on Mon Feb 04, 2008 1:38 am, edited 1 time in total.
-
support_vasp
- Global Moderator
- Posts: 1817
- Joined: Mon Nov 18, 2019 11:00 am
Re: Question about MD & Static temperature
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