Thanks for your reply Paolo. does kpoints.x generate MP grid points?
I thought that since its a uniform grid, the ranges of K_x, K_y and K_z would be identical and symmetric. i.e. for e.g. K_x varying between -1.25 to 1.25 etc. Nandan. On Fri, Jan 11, 2013 at 4:58 PM, Paolo Giannozzi <giannozz at democritos.it>wrote: > > On Jan 11, 2013, at 18:00 , Nandan Tandon wrote: > > > 1. I was wondering why the grid is not symmetric. For instance > > corresponding to the 6th point > > (-1, 0, 0), how come the (1,0,0) point does not appear in the list? > > k and -k are always equivalent by time invariance. In this case, they > also differ by a > reciprocal lattice vector > > > Why do the range of k_x values exceed unity? > > why not? you can always translate a k-vector by any reciprocal > lattice vector > > 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 > > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- *********************************************************************************************** Nandan Tandon Department of Physics, Worcester Polytechnic Institute, 100 Institute Road, Worcester, MA ************************************************************************************************* -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130114/d2f9e506/attachment.html
