[Pw_forum] k points weights
Sohail Ahmad
sohailphysics at yahoo.co.in
Thu Jul 26 13:10:07 CEST 2012
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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