[Wien] New qtl testing

Peter Blaha pblaha at theochem.tuwien.ac.at
Tue Jul 22 22:58:08 CEST 2008


PPS: Eventually try to replace bin/csh with bin/tcsh in the first line 
of x_lapw (located in $WIENROOT)

Oleg Artamonov schrieb:
> Dear Wien2k users,
> 
> I have used Wien2k_08_executables and successfully executed SCF for TiC as 
> an example.
> After that, I tested the new version of QTL with next case.inq.
> The case.inq is
>  **************
>  -10.  10.
>  1
>  1  2  0  0
>  2  1  2
>  **************
> Running x qtl gives only the message: while: Expression Syntax.
> Running qtl qtl.def creates case.outputq, but case.qtl is empty!
> Running (for testing) x lapw2 - band -qtl creates case.qtl as needed.
> 
> Please, give me a cue what is wrong.
> Thanks in advance,
>                                     Oleg Artamonov. 
> 
> 
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