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error while running with LWANNIER90=.TRUE.
Posted: Mon Jul 30, 2012 6:28 pm
by miruto
Even in a simple water molecule with LWANNIER90=.TRUE., I'm getting the error
internal error in GENERATE_KPOINTS_TRANS: G vector not found.
I've been unable to figure out what I need to do in order to avoid this error and finish the run successfully.
Thanks!
error while running with LWANNIER90=.TRUE.
Posted: Sat Oct 06, 2012 6:06 am
by keunsu
I also have same error massages with "LWANNIER90=.TRUE." option in INCAR. Does anybody know how to avoid this error message??
Many thanks!!
<span class='smallblacktext'>[ Edited Sat Oct 06 2012, 06:07AM ]</span>
error while running with LWANNIER90=.TRUE.
Posted: Wed Nov 14, 2012 3:10 am
by maartendft
Did you link Wannier90 properly to VASP?
error while running with LWANNIER90=.TRUE.
Posted: Fri Jan 11, 2013 7:53 pm
by autieri
I also have a similar error message with "LWANNIER90=.TRUE." option in INCAR. The error message is:
internal error in GENERATE_KPOINTS_TRANS: number of G-vector changed in star
thanks for any help
error while running with LWANNIER90=.TRUE.
Posted: Sat Jan 12, 2013 6:54 am
by hadriya9091
By the way I tried this with NPAR=1, NPAR=ncpu and NPAR*KPAR=ncpu with KPAR=4 and the results are the same
error while running with LWANNIER90=.TRUE.
Posted: Tue Feb 04, 2014 1:03 pm
by Torbjorn
I got around this error by setting ISYM=-1. I don't yet know if my numbers make sense though, as far as I can see, the error should not have been there in the first place, so merely getting rid of the error messge might not be the answer.
error while running with LWANNIER90=.TRUE.
Posted: Thu Mar 13, 2014 9:20 am
by karlzhou87
Remove "NPAR" from INCAR, it works for me.