[Wien] tetrahedron BZ integration

Jorissen Kevin Kevin.Jorissen at ua.ac.be
Mon May 10 18:52:21 CEST 2004


Dear ML,
 
suppose one uses kgen to create a BZ mesh and find irreducible points.  The integral of some quantity f(k) over the full BZ can now be approximated by a sum over the irreducible k-points   integral of f = sum (i=1..N)  weight(i)  * f(ki).
 
Are the weights which we find in the output of the kgen program these integration weights?  (I know that eg tetra requires something more clever - there the weights will depend of the position of every tetrahedron w.r.t. the fermi surface).  Or are these just numbers that say how many reducible points map onto the irreducible one, while some factors are still missing to get the weight(i) ?
 
Thank you,
 
Kevin.
 




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