[Pw_forum] k points weights

[Davide Tiana]

As remembered in many QE tutorials, weights are meaningless in NSCF  
calculations such as band ones.

by the way when required (for instance during optimisation) weights  
are simply related to the multiplicity of the points and can be  
obtained looking International Cryst tables or Bilbao Cryst server.

Regards
Davide

>
> Message: 1
> Date: Thu, 26 Jul 2012 19:10:07 +0800 (SGT)
> From: Sohail Ahmad <sohailphysics at yahoo.co.in>
> Subject: [Pw_forum] k points weights
> To: Plane Wave <pw_forum at pwscf.org>
> Message-ID:
>         <1343301007.14468.YahooMailClassic at web190902.mail.sg3.yahoo.com>
> Content-Type: text/plain; charset="iso-8859-1"
>
> 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
>
> Sohail Ahmad
> King Khalid University
> Saudi Arbia