[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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