[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
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> 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
-------------------------------------------------------------------------



More information about the Wien mailing list