Hi Hongsheng, You can find definitions of lattice vectors in INPUT_PW.txt and calculate reciprocal vectors according to definition of reciprocal vector. The name sometimes doesn't matter.
Best Wishes jia On Tue, Jun 28, 2011 at 8:16 PM, Hongsheng Zhao <zhaohscas at yahoo.com.cn> wrote: > Hi all, > > For a set of lattice vectors used for our supercell, the corresponding > reciprocal ?vectors may have two different forms: ?reciprocal > CONVENTIONAL vectors and reciprocal PRIMITIVE vectors. ?In this case, > the ? coordinates of K point used in the calculations should reference > to reciprocal CONVENTIONAL vectors or ?reciprocal PRIMITIVE vectors? > > Regards. > -- > Hongsheng Zhao <zhaohscas at yahoo.com.cn> > School of Physics and Electrical Information Science, > Ningxia University, Yinchuan 750021, China > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- Jia Chen
