[Pw_forum] k points weights

[Axel Kohlmeyer]

On Thu, Jul 26, 2012 at 1:10 PM, Sohail Ahmad <sohailphysics at yahoo.co.in> wrote:
>
> Dear Pw users
>
> In example 01 of version QE-4.2.3
> In band.in file k points are given as
>  K_POINTS
>  28
>    0.0 0.0 0.0 1.0
>    0.0 0.0 0.1 1.0
>    0.0 0.0 0.2 1.0
>
> while in lab exercise2 day1 (given by Prof Shobhana Narasimhan on july 20,
> 2009) tutorial held in Santa Barbara
> http://media.quantum-espresso.org/santa_barbara_2009_07/
> 36
>    0.5 0.5 0.5  1
>    0.4 0.4 0.4  2
>    0.3 0.3 0.3  3
>    0.2 0.2 0.2  4
>    0.1 0.1 0.1  5
>
> Now my question is whether i should write weights or the simply serial no.
> in band.in file
> i believe it should be its weitghs then the question is how to claculate

it doesn't matter. for non-selfconsistent
calculations, the weights are ignored.

axel.

>
> Sohail Ahmad
> King Khalid University
> Saudi Arbia
>
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--
Dr. Axel Kohlmeyer  akohlmey at gmail.com  http://goo.gl/1wk0
International Centre for Theoretical Physics, Trieste. Italy.