error while running with LWANNIER90=.TRUE.

Problems running VASP: crashes, internal errors, "wrong" results.


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miruto

error while running with LWANNIER90=.TRUE.

#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!
Last edited by miruto on Mon Jul 30, 2012 6:28 pm, edited 1 time in total.

keunsu
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error while running with LWANNIER90=.TRUE.

#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>
Last edited by keunsu on Sat Oct 06, 2012 6:06 am, edited 1 time in total.

maartendft
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error while running with LWANNIER90=.TRUE.

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

Did you link Wannier90 properly to VASP?
Last edited by maartendft on Wed Nov 14, 2012 3:10 am, edited 1 time in total.

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autieri
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error while running with LWANNIER90=.TRUE.

#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
Last edited by autieri on Fri Jan 11, 2013 7:53 pm, edited 1 time in total.
Carmine Autieri

hadriya9091

error while running with LWANNIER90=.TRUE.

#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
Last edited by hadriya9091 on Sat Jan 12, 2013 6:54 am, edited 1 time in total.

Torbjorn
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error while running with LWANNIER90=.TRUE.

#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.
Last edited by Torbjorn on Tue Feb 04, 2014 1:03 pm, edited 1 time in total.

karlzhou87
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error while running with LWANNIER90=.TRUE.

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

Remove "NPAR" from INCAR, it works for me.
Last edited by karlzhou87 on Thu Mar 13, 2014 9:20 am, edited 1 time in total.

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