[Wien] Error in SCF calculation

Laurence Marks laurence.marks at gmail.com
Thu Aug 27 13:32:12 CEST 2020


As stated in the mailing list guide
http://susi.theochem.tuwien.ac.at/reg_user/mailing_list/

"You need to supply more info (what did you do so far?, what was the
specific task?, what is in the error and output files,... maybe we need the
struct-file, the scf-file or an input-file,.... as an attachment."

In addition, is that a true error or just an information (info) printout?
_____
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Gyorgi
www.numis.northwestern.edu

On Thu, Aug 27, 2020, 06:19 upasana Rani <chauhanupasana9600 at gmail.com>
wrote:

> Dear Users,
> Greetings!
> I am using WIEN2k_19.1. When I run scf calculation using WC potential
> functional, I found this error.
>
> forrtl: info (530): FILE= specifier ignored when STATUS has value SCRATCH
> -------------------
>
> Kindly tell me the solution.
> Thanks !
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