The errors when the force constants were calculated.
Moderators: Global Moderator, Moderator
The errors when the force constants were calculated.
Hello:
I have calculated the force constants using the tags: ibrion=8 and nsw=1, during the process of the vasp running, some error profiles were given like this:
HAMIL_LR internal error: the vector H(1)-e(1) S(1) |phi(0)> is not orthogonal t
o |phi(0)> 52 1 -1.417823075417837E-004
It's the first time for me to carry out such a calculation, i don't know what's wrong on this vasp task. What can i do to correct it?
Many thanks for any tips!
I have calculated the force constants using the tags: ibrion=8 and nsw=1, during the process of the vasp running, some error profiles were given like this:
HAMIL_LR internal error: the vector H(1)-e(1) S(1) |phi(0)> is not orthogonal t
o |phi(0)> 52 1 -1.417823075417837E-004
It's the first time for me to carry out such a calculation, i don't know what's wrong on this vasp task. What can i do to correct it?
Many thanks for any tips!
Last edited by xinhuanwen on Sat Apr 26, 2014 10:19 am, edited 1 time in total.
-
- Global Moderator
- Posts: 1817
- Joined: Mon Nov 18, 2019 11:00 am
Re: The errors when the force constants were calculated.
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