On Thu, May 12, 2016 at 4:14 PM, dario rocca <[email protected]> wrote:
In order to menage the g vectors for each k-point, you can use the arrays > ngk (number of G vectors for each k-point) and igk (index of G > corresponding to a given index of k+G; basically an index that allows you > to identify the G vectors corresponding to a given k and order them). > just a note: "igk" is going to be replaced by another variable, "igk_k", that contains indices of k+G for all k-points. Indices "igk" used to be read from file in each loop over k-vectors, to save memory and computer time. This may have been a good idea many years ago, but it isn't any longer. Paolo -- 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
_______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
