[Pw_forum] q-points unit

Paolo Giannozzi giannozz at democritos.it
Sun May 22 17:39:09 CEST 2011


On May 22, 2011, at 17:21 , Seyed Mojtaba Rezaei Sani wrote:

> Pardon me but I can't find any clue about this matter in any of  
> output files.

the three vectors generating the reciprocal lattice are reprinted on  
output.
QE does not use "conventional" cells, only "primitive" cells.

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






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