Dear vasp users,
I want to do a spin-orbit calculation using vasp and after completing scf calculation I am getting a WARNING in the OUTCAR file. It has been converged well and moments of atoms are also correct. But I do not understand the meaning of the warning. Is it wrong calculation? Could you please help me to resolve this issue.Thanks.
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| |
| W W AA RRRRR N N II N N GGGG !!! |
| W W A A R R NN N II NN N G G !!! |
| W W A A R R N N N II N N N G !!! |
| W WW W AAAAAA RRRRR N N N II N N N G GGG ! |
| WW WW A A R R N NN II N NN G G |
| W W A A R R N N II N N GGGG !!! |
| |
| Full k-point grid generated |
| Inversion symmetry is not applied |
| |
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Spin-orbit calculation warning
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leostorm10
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Spin-orbit calculation warning
Last edited by leostorm10 on Wed Apr 06, 2011 10:21 am, edited 1 time in total.
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support_vasp
- Global Moderator
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Re: Spin-orbit calculation warning
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