[Pw_forum] K_POINTS and Monkhorst-pack grids (nq1,nq2,nq3)
Paolo Giannozzi
giannozz at democritos.it
Sat Oct 27 17:34:07 CEST 2012
On Oct 27, 2012, at 13:30 , Ker Park wrote:
> Shouldn't Monkhorst-pack grids (nq1, nq2, nq3) in 'ph.in' input
> file be the same as K_POINTS in SCF calculation ?
no
P.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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