[DFTB-Plus-User] Averaging over a number of k-points

Theodoros Leontiou eng.lt at frederick.ac.cy
Wed Mar 30 16:29:53 CEST 2016


Dear DFTB+ team

I am interested in calculating an expression that involves  the
eigenvectors.
I understand that if a number of k-points are involved then I
have to carry out the same calculation for each k-point and then add all
the contributions each multiplied by weight of the particular k-point.
Is this right? ... or are the weights somehow included in the eigenvectors?

Where can I find the details  about these type of calculations? 

Many thanks

Theodoros Leontiou


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