gards,
Yevgen
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Message: 6
Date: Sun, 24 Apr 2016 10:15:13 +0530
From: "Dr. K. C. Bhamu"
To: A Mailing list for WIEN2k users
Subject: Re: [Wien] how to increase number of k points through script
[Revised]
Message-ID:
Content-Type: text/plain;
Thank you Gavin
Its working
Sincerely
Bhamu
On Sun, Apr 24, 2016 at 2:07 AM, Gavin Abo 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
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
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
?
init_lapw will recreate the initial density, so you would have to converge
again!
On Sat, Apr 23, 2016 at 2:12 PM, Dr. K. C. Bhamu
wrote:
> I think I got my answer my self.
> I should run init_lapw and then increase the k-points and then re-run
> init_lapw if one has to reduce the k-points.
>
I think I got my answer my self.
I should run init_lapw and then increase the k-points and then re-run
init_lapw if one has to reduce the k-points.
regards
Bhamu
On Sat, Apr 23, 2016 at 1:13 PM, Dr. K. C. Bhamu
wrote:
> Dear Wien2k experts
>
> I want to increase k points for optic program.
>
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