[Wien] QTL error TELNES
Peter Blaha
pblaha at theochem.tuwien.ac.at
Wed Dec 15 16:14:04 CET 2021
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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Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
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