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Re: [abinit-forum] Set ngkpt and istwfk in the input


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  • From: Fabien Bruneval <fabien.bruneval@cea.fr>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] Set ngkpt and istwfk in the input
  • Date: Wed, 08 Jul 2009 09:55:47 +0200

Yes, you can specify

istwfk *1

It is a recent feature, which is very practical.
Cheers,

Fabien



Davide Sangalli wrote:
Dear forum,
I'm using abinit to do some run on a bulk system.
Now I set in the input the variable ngkpt, let's say

ngkpt 3*10

and I would like to set for each k-point istwfk=1.

My problem is that I've no idea of how much will be the number
of k-points used by abinit after consideration of symmetries,
so I don't now which should be the dimension of istwfk...
Is there a smart way to overcome this problem?

Regards,
Davide




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