[Wien] octave3

[Peter Blaha]

Apparently you have installed a csh (needed for all our *_lapw scripts), 
but not a tcsh.
In most modern systems these are anyway the same.

Solutions:
a) Install a tcsh on your system

b) fix the source code:

In $WIENROOT/SRC_structeditor/bin

search for all lines with "tcsh":

      grep tcsh *.m

It gives a list where tcsh occurs:

savestruct.m:            system("tcsh -c 'xncm ncmsymmetry -f tmpsave 
-nomm >&  error.ncmsym' ");
showstruct.m:#      system("tcsh -c 'struct2dx -nomm -new -f s >& 
error.struct2dx'", 1 , "async");
showstruct.m:      system("tcsh -c 'xcrysden --wien_struct s.struct >& 
error.xcrysden'", 1);
showstruct.m:#      system("tcsh -c 'xcrysden --wien_struct s.struct >& 
error.xcrysden'", 1 , "async");
showstruct.m:#      system("tcsh -c 'VESTA $PWD/s.struct >& 
error.VESTA'", 1 , "async");
s

You can ignore the commented lines, but need to edit

savestruct.m and showstruct.m

and replace   tcsh by csh

Please let me know if it works.
I'll probably modify the sources for the next release.

Regards

On 09/24/2014 12:15 PM, John Rundgren wrote:
> Dear WIEN2k team,
>
> Problem with octave sshift:
>  >t1=loadstruct("GaAs.struct")
>  >t2=makeconventional(t1)
>  >t3=sshift(t2,1,[0.0 0.0 0.1])
>
> sshift makes no operation and t3=t2. The full content of t2 and t3 are
> written out on the screen, so t3=t2 is easily seen.
>
> On the screen a diagnosis appears:
> octave:4> t3=sshift(t2,1,[0.0 0.0 0.1])
> sh: 1: tcsh: not found
> cp: cannot stat ‘tmpsave.struct_ncmsym’: No such file or directory
> sh: 1: tcsh: not found
> cp: cannot stat ‘tmpsave.struct_ncmsym’: No such file or directory
> smultatom:  no spgroup specified, sym. op. are generated
> showequivalent:  no spgroup specified, sym. op. are generated
> warning: showequivalent: some elements in list of return values are
> undefined
>
> My WIEN2k is successfully installed with .bashrc.
> How can one get sshift going?
> Regards,
> John Rundgren
>
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-- 

                                       P.Blaha
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WIEN2k: http://www.wien2k.at
WWW:   http://www.imc.tuwien.ac.at/staff/tc_group_e.php
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