[Wien] Problem with running Wien2k

[Peter Blaha]

After you create case.struct in the structeditor of w2web, the struct 
file should exactly look as yours. So that's ok. (It will be completed 
during initialization).

Your error has NOTHING to do with the Fortran sources or compiler.

Your problem seems to be similar as reported before, i.e. it is related 
to the Linux-version, and in particular to the version of   /bin/csh.
Aparently, some new Linux versions have a "broken" csh.

a) Try to edit $WIENROOT/x_lapw and replace in the first line
"csh" by "tcsh".  Then try   "x nn" again.
If it works, you may have to change this in all $WIENROOT/*_lapw 
scripts, or you simply
cp /bin/csh  /bin/csh_broken   and
cp /bin/tcsh /bin/csh

b) If this does not help, you need to install a proper csh (or tcsh) 
from the web. Search in google for the sources. download and install them.



Jean_Claude Le Bossé schrieb:
> Dear users,
> After installing the fedora 10 OS x86-64 (instead of the 32-bit linux 
> system), and the 11.0 professionnal Intel 64-bit fortran compiler 
> (instead of the 32-bit intel compiler (version 10.0)), I come back to 
> the installation of Wien2k. I have to face the following problem. 
> Running the command line x nn, I get the following message.
> 
> argv1: Indice hors limites.
> 
> Curiously, TiC.struct has the form
> 
> /TiC                                                        
> F   LATTICE,NONEQUIV.ATOMS:  2                             
> MODE OF CALC=RELA unit=ang
>   8.178738  8.178738  8.178738 90.000000 90.000000 90.000000
> ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
>           MULT= 1          ISPLIT= 8
> Ti         NPT=  781  R0=0.00005000 RMT=    2.1500   Z: 22.0
> LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
>                      0.0000000 1.0000000 0.0000000
>                      0.0000000 0.0000000 1.0000000
> ATOM   2: X=0.50000000 Y=0.50000000 Z=0.50000000
>           MULT= 1          ISPLIT= 8
> C          NPT=  781  R0=0.00010000 RMT=    1.9100   Z:  6.0
> LOCAL ROT MATRIX:    0.0000000 0.0000000 0.0000000
>                      0.0000000 0.0000000 0.0000000
>                      0.0000000 0.0000000 0.0000000
>    0      NUMBER OF SYMMETRY OPERATIONS
> /
> I note that there is no symmetry operation ! Very curious. I certainly 
> do something wrong.
> Can you help me ?
> 
> JCLB
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