[Wien] (no subject)

[Laurence Marks]

That is due to overlapping spheres. You need to use smaller spheres (in
setrmt) when initializing, as explained in the user guide.

_____
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 Tue, May 15, 2018, 12:34 AM Arvind Kumar <arvindkumar at arsd.du.ac.in>
wrote:

> Dear Prof. Blaha and Wien2k users,
>                      I am trying to run volume optimization calculation on
> Gd2Cu2In and other related compounds but it shows error during run scf
>
> *ERROR status in Gd2Cu2In_vol_ -10.0*
>
> *> stop error  *
>
> *NN Error*
> *LAPW0 END*
> *hup: Command not found*
>
>
> I am running these calculation by Wien2k 16.1 version compiled in HP
> laptop having 8GB RAM and 1 TB harddisk with mkl library with ifort+ icc
> compiler.
>
>
> thanks & regards,
>
> Dr. Arvind Kumar
>
>
> --
> Dr. Arvind Kumar
> Assistant Professor
> Department of Physics
> Atma Ram Sanatan Dharma College
> (University of Delhi)
> Dhaula Kuan, New Delhi-110021
>
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