i want to find the vibrational energy of a bct_cell so i need tetra hedra file my c/a=.9 for this how can i find the vertex of cordinates
i have seen in the tetrahedra in put of bct cell in QHA code given so how i can calculate my triinp_bct file my question is how can i find the vertex by xcrysden -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120109/9c9e99e5/attachment.htm
