[Wien] mBj error

Gavin Abo gsabo at crimson.ua.edu
Fri Feb 6 15:57:45 CET 2015


In the WIEN2k directory SRC_lapw0, there should be a file called 
lapw0.F.  You have to open the file in a text editor.  Then, you need to 
find line 1831, which should have on that line:

             READ(11,'(1X,"        ",I10)') NKKSP

You need to replace (1X,"        ",I10) with (9X,I10) in that line so 
that you have:

             READ(11,'(9X,I10)') NKKSP

Finally, you need to use siteconfig to recompile.

However, that is not expected to be the best solution. The better 
solution should be to update to the latest WIEN2k version (currently, 
14.2), which already contains a fix to this problem and others.

On 2/5/2015 10:47 PM, bayarr temuujin wrote:
> Dear Wien2k users,
>
>
>
> I am using Wien2k version 13.1. I followed all the steps in userguide 
> but i am getting error:
> hup: Command not found.
> STOP  LAPW0 END
> At line 1831 of file lapw0.F (unit = 11, file = 'TiO2_rutile_mBJ.r2v')
> Fortran runtime error: Constant string in input format
> (1X,"        ",I10)
>               ^
>
> >   stop error
>
> I searched mailing list for similar problems and Mr. Peter Blaha mentioned to replace it by (9X,I10) but i do not understand how to replace it. Can someone explain it to me?
>  Best regards,
> Temuujin Bayaraa
> Researcher
> Institute of Physics and Technology,
> Mongolian Academy of Sciences
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