On Tue, 2014-05-27 at 08:21 -0700, David Foster wrote: > Dear Tone and Giovanni > > thank you for your helps. So, how can I correct crystal positions by using > v1, v2, and v3?
My advice is the following: given the fact that ibrav>0 cases always depend on the definition of the hard-coded lattices and conventions, I almost always use ibrav=0 + CELL_PARAMETERS. This way the user controls/specifies the structure the way he/she sees fit. Regards, -- Anton Kokalj J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia (tel: +386-1-477-3523 // fax:+386-1-477-3822) Please, if possible, avoid sending me Word or PowerPoint attachments. See: http://www.gnu.org/philosophy/no-word-attachments.html
