[Pw_forum] k-points for optical properties
paolo.giannozzi at uniud.it
Mon Jul 21 10:20:49 CEST 2014
> Is there any available tool or method to generate non-uniform k-point
> grids (and weights) useful to sample the van-Hove singularities in the
> DOS or the joint DOS for calculations of dielectric function?
not that I know. If however the goal is to obtain correct van Hove
singularities, with tetrahedra you should obtain them.
Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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