Hi all, In the users guide of W90 code, in page 45 section 5.2 seedname.mmn, it is explained what is the information stored in that file,
" First line of each block: 5 integers. The first specifies the k (i.e., gives the ordinal corresponding to its position in the list of k-points in seedname.win). The 2nd to 5th integers specify k + b. The 2nd integer, in particular, points to the k-point on the list that is a periodic image of k + b, and in particular is the image that is actually mentioned in the list. The last three integers specify the G vector, in reciprocal lattice units, that brings the k-point specified by the fourth integer, and that thus lives inside the first BZ zone, to the actual k + b that we need. " shouldnt be 'second' instead of 'fourth'? Thanks in advance, -- ?======================================== Julen Iba?ez Azpiroz Materia Kondentsatuaren Fisika Saila Zientzia eta Teknologia Fakultatea Euskal Herriko Unibertsitatea 644 Posta Kutxatila, 48080 Bilbo, Spain Telefonoa: +34 946015326 Mail: jibanez008 at ikasle.ehu.es ======================================== -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110606/44791472/attachment.htm
