I set NPAR=1 and LOPTICS=.TRUE. in INCAR to get OPTIC, and then cp IBZKPT to KPOINTS and run optics. It gave the error:
scanning POSCAR, KPOINTS and OPTIC
Incompatible number of k-points on file KPOINTS and OPTIC.
FORTRAN STOP
May someone help me?
Thanks a lot.
optics error
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linglin
optics error
Last edited by linglin on Sun Nov 30, 2008 9:45 am, edited 1 time in total.
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optics error
please check the 2 OUTCAR files for the difference. Which release of vasp do you use? I cannot find this specific message in any thf the 4.6. releases.
Last edited by admin on Mon Dec 01, 2008 1:41 pm, edited 1 time in total.
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linglin
optics error
Our vasp is 4.6.31.
I havn't got OUTCAR after running optics, only the error above. And I can't recognize the code in OPTIC so can not compare the difference.
I compare the 2 OUTCAR files after setting ISTART=0 and ISTART=1. The number of k-points is same but just a very little difference of band energy. I don't think it is the problem.
Is there anything I must check? Or is it the compiling mistake?
I havn't got OUTCAR after running optics, only the error above. And I can't recognize the code in OPTIC so can not compare the difference.
I compare the 2 OUTCAR files after setting ISTART=0 and ISTART=1. The number of k-points is same but just a very little difference of band energy. I don't think it is the problem.
Is there anything I must check? Or is it the compiling mistake?
Last edited by linglin on Tue Dec 02, 2008 1:52 am, edited 1 time in total.
-
linglin
optics error
Our vasp is 4.6.31.
I havn't got OUTCAR after running optics, only the error above. And I can't recognize the code in OPTIC so can not compare the difference.
I compare the 2 OUTCAR files after setting ISTART=0 and ISTART=1. The number of k-points is same but just a very little difference of band energy. I don't think it is the problem.
Is there anything I must check? Or is it the compiling mistake?
I havn't got OUTCAR after running optics, only the error above. And I can't recognize the code in OPTIC so can not compare the difference.
I compare the 2 OUTCAR files after setting ISTART=0 and ISTART=1. The number of k-points is same but just a very little difference of band energy. I don't think it is the problem.
Is there anything I must check? Or is it the compiling mistake?
Last edited by linglin on Tue Dec 02, 2008 1:53 am, edited 1 time in total.