[Pw_forum] location of kpoints

Paolo Giannozzi giannozz at democritos.it
Thu Feb 3 21:08:13 CET 2011


On Feb 3, 2011, at 19:22 , José Alberto Pires Fernandes wrote:

> "Can I situate only two kpoints in the approximate centers
> of these small molecules, instead of a regular distribution?"

??? k-points live in reciprocal space

P.
---
Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222







More information about the users mailing list