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

[Yevgen Melikhov]

In addition to Dr. Abo's suggestion, one may use this command:printf ‘2000\n1\n’| x kgen

This is pretty useful as it allows communicating with WIEN2k through script.
This is, for example, how I set up antiferromagnetic case for three atoms:
printf ‘u\nd\nn\n’| instgen_lapw -ask -s
Best regards,
Yevgen




------------------------------


Message: 6
Date: Sun, 24 Apr 2016 10:15:13 +0530
From: "Dr. K. C. Bhamu" <kcbhamu85 at gmail.com>
To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
Subject: Re: [Wien] how to increase number of k points through script
    [Revised]
Message-ID:
    <CAJYci+QBT-o6B7KSYW4s1=kZQYRvb3qYaqRMSaLRJ3aUpUzdgA at mail.gmail.com>
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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
>
>
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