[Pw_forum] k points weights
Thaneshwor Kaloni
tkaloni at gmail.com
Thu Jul 26 20:20:37 CEST 2012
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>
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<1343301007.14468.YahooMailClassic at web190902.mail.sg3.yahoo.com>
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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
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>the question is how to claculate
use kpoints.x command.
Kaloni
http://cpms.kaust.edu.sa/Pages/People.aspx
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