[Wien] how to increase number of k points through script [Revised]

Dr. K. C. Bhamu kcbhamu85 at gmail.com
Sun Apr 24 06:45:13 CEST 2016


Thank you Gavin
Its working

Sincerely
Bhamu




On Sun, Apr 24, 2016 at 2:07 AM, Gavin Abo <gsabo at crimson.ua.edu> wrote:

> Have you tried creating a temporary file (e.g., named kgenpt) containing
> the number of k-points value followed by redirecting the file as input to
> "x kgen"?  That might work.  For example, if want "x kgen" to run with 2000
> k-points, you could try adding to the job script:
>
> echo "2000" > kgenpt
> x kgen < kgenpt
>
> On 4/23/2016 2:03 PM, Dr. K. C. Bhamu wrote:
>
> Yes, agreed!!!
>
> Then how to increase the k-points for optic program through job script?
> Because in job file we can mention only "x kgen" but then what about the
> number that we need to define?
>
> Sincerely
> Bhamu
>
>
> ------------------------------------------------
> Dr. K. C. Bhamu
> (UGC-Dr. D. S. Kothari Postdoc Fellow)
> Department of Physics
> Goa University, Goa-403 206
> India
> Mob. No.  +91-9975238952
>
>
> _______________________________________________
> 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
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20160424/988b2bbe/attachment.html>


More information about the Wien mailing list