error while running with LWANNIER90=.TRUE.

Message

miruto · #1 Post by **miruto** » Mon Jul 30, 2012 6:28 pm

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!

keunsu · #2 Post by **keunsu** » Sat Oct 06, 2012 6:06 am

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>

maartendft · #3 Post by **maartendft** » Wed Nov 14, 2012 3:10 am

Did you link Wannier90 properly to VASP?

autieri · #4 Post by **autieri** » Fri Jan 11, 2013 7:53 pm

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

hadriya9091 · #5 Post by **hadriya9091** » Sat Jan 12, 2013 6:54 am

By the way I tried this with NPAR=1, NPAR=ncpu and NPAR*KPAR=ncpu with KPAR=4 and the results are the same

Torbjorn · #6 Post by **Torbjorn** » Tue Feb 04, 2014 1:03 pm

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.

karlzhou87 · #7 Post by **karlzhou87** » Thu Mar 13, 2014 9:20 am

Remove "NPAR" from INCAR, it works for me.