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 > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- Dr. Axel Kohlmeyer akohlmey at gmail.com http://goo.gl/1wk0 International Centre for Theoretical Physics, Trieste. Italy.