[Wien] Problem with running Wien2k

[Andrey N. Sobolev]

Hi Jean Claude,

The problem was certainly reported before and it has to do with updated
tcsh in Fedora 9-10. To fix this, you have to change line 222 of x_lapw script from
echo "`date`> ($name) $command $argv1[2-]" >> $log
to
echo "`date`> ($name) $argv1" >> $log

Regards, 
Andrey.



В Wed, 04 Feb 2009 18:10:16 +0100
Jean_Claude Le Bossé <jean-claude.lebosse at insa-lyon.fr> пишет:

> 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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