[Wien] Problem with running Wien2k

[Jean_Claude Le Bossé]

Peter Blaha a écrit :
> 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.
>   
I do it. But nothing is changed.
> 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.
>   
I do it. I do the following command :
yum install tcsh
and then, I get the message
There is nothing to do. The last version of tcsh is already installed.
>
>
> 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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>>     
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