Spin-orbit calculation warning
Posted: Wed Apr 06, 2011 10:21 am
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 |
| |
-----------------------------------------------------------------------------
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.
-----------------------------------------------------------------------------
| |
| 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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