[Wien] (no subject)

Gavin Abo gsabo at crimson.ua.edu
Sat May 12 08:29:59 CEST 2018


Regarding the LOPW error, you might try increasing the RKmax value (in 
case.in1[c]) [ 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg13902.html 
, http://susi.theochem.tuwien.ac.at/reg_user/faq/rkmax.html ].

On 5/11/2018 9:49 PM, Arvind Kumar wrote:
> Dear Prof. Blaha and Wien2k users,
>                    I am trying to run scf on DyInZn and other related 
> compounds but it shows error during run scf
>
> *> stop error
> *
> *
> *
> *LOPW 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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