[Wien] Issue regarding default iteration (40) in scf calculation during mbj calculation

[Laurence Marks]

-i 120

On Thu, May 30, 2019 at 7:56 PM Indranil mal <indranil.mal at gmail.com> wrote:

> Dear users and respected sir,
>                       I am trying to calculate band structure of TiC basic
> unit cell system using mbj potential with a pc with serial compilation.
> However, every time the SCF iteration stops at 40 cycle then I am compiling
> "run_lapw    -NI  -i120" still in the next step it stops after 4o
> iterations.
>
> Please help
>
>
> Thanking you
>
> Indranil
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-- 
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu
Corrosion in 4D: www.numis.northwestern.edu/MURI
Co-Editor, Acta Cryst A
"Research is to see what everybody else has seen, and to think what nobody
else has thought"
Albert Szent-Gyorgi
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