Please have a look at this issue: https://gitlab.com/QEF/q-e/issues/2
Paolo On Fri, Oct 18, 2019 at 5:35 AM Sayan Banerjee <[email protected]> wrote: > Dear users, > > Currently I'm facing a strange number of k point generation problem in > QE-6.4.1. When I'm using a K-point grids of 3 x 5 x 1, it's generating 34 k > points whereas other combinations work fine. Please see below: > > K_POINTS automatic > 5 5 1 0 0 0 number of k points: 13 > > > 4 4 1 0 0 0 number of k points: 10 > > > 3 5 1 0 0 0 number of k points: 34 > > My cell parameters are- > CELL_PARAMETERS angstrom > 5.8236050606 0.0000000000 0.0000000000 > -2.9118025303 5.0433899241 0.0000000000 > 0.0000000000 0.0000000000 34.8862200000 > Thanks in advance. I look forward to hearing from you. > > Regards, > Sayan > -- > *Sayan Banerjee* > Graduate Student > Department of Chemistry *|* University of Pennsylvania, > Philadelphia, PA 19104-6323 > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
_______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
