On Feb 3, 2011, at 19:22 , Jos? 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
