[Wien] QTL error TELNES

[David Holec]

Dear Phillipe,

I had recently very similar issues and following hint from Pavel Ondračka
helped me:

“Looks like a bug. I see something similar on the mailing list. Please
apply all patches from github.com/gsabo/WIEN2k-Patches from the 21.1
directory and let me know if that helps.”

Maybe it will help you, too.
David

On Wed 15. Dec 2021 at 16:14, Peter Blaha <pblaha at theochem.tuwien.ac.at>
wrote:

> Please look into    qtl.def   in your folder
>
> What does it say for unit 10 ? In particular is there an "OLD" or
> "UNKNOWN" tag ? (It should be unknown).
>
> Regards
>
> Am 15.12.2021 um 16:05 schrieb Philippe JONNARD:
> > Hello,
> >
> > I am running WIEN version 21.1 on a machine of type server Intel
> > x86_64 with operating system SUSE Linux Enterprise Server 12 SP3,
> > fortran compiler Intel 18.2 and math libraries Intel MKL 18.2. I am
> > using w2web to perform my calculations.
> >
> > I am trying to calculte EELS spectra. I start with INNES but each time
> > I obtain the following error once I have clicked on the button "x -qtl
> > telnes":
> >
> >  'QTL' - can't open unit: 10
> >  'QTL' -        filename: case.vectordn
> >  'QTL' -          status: unknown      form: unformatted
> >
> > I have verified that the case.vectordn file is not present in my case
> > folder. I have found a discussion on the mailing list where the same
> > error message is discussed but the problem seemed to come from some
> > parallel vectors, which I do not know what they are.
> >
> > Thnak you for your help,
> >
> > P. Jonnard
> >
> > _______________________________________________
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> > SEARCH the MAILING-LIST at:
> > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>
> --
> -----------------------------------------------------------------------
> Peter Blaha,  Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-158801165300
> Email: peter.blaha at tuwien.ac.at
> WWW:   http://www.imc.tuwien.ac.at      WIEN2k: http://www.wien2k.at
> -------------------------------------------------------------------------
>
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-- 


---
*Dr David Holec*
*Computational Materials Science group*
Department of Materials Science
Montanuniversität Leoben



Franz-Josef-Strasse 18, A-8700 Leoben, Austria
tel. +43-(0)3842-4024211
fax. +43-(0)3842-4024202
materials.unileoben.ac.at
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________________________________
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