hi,
I have a calculation that the convergence for energy is 10^-7 and for force is 10^-4.
I have checked that after a few ionic steps, both of them have be reached,
but the calculation sill continues for more than 100 steps, and changes the atomic coordination at the order of 10^-6 \AA.
Does anyone have experience like this?
Thanks.
The convergence is reached, but the calculation still goes on
Moderators: Global Moderator, Moderator
-
anoop
- Newbie
- Posts: 7
- Joined: Tue Apr 30, 2013 2:50 pm
- License Nr.: 5-117
- Location: Dusseldorf, Germany
The convergence is reached, but the calculation still goes on
Last edited by anoop on Thu Feb 20, 2014 6:31 pm, edited 1 time in total.
-
support_vasp
- Global Moderator
- Posts: 1817
- Joined: Mon Nov 18, 2019 11:00 am
Re: The convergence is reached, but the calculation still goes on
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