On Mon, 2014-03-17 at 17:23 +0530, mayank gupta wrote: > Dear users > > I am not able to visualize the crystal structure with ibrav=-12 flag.
This is correct; ibrav=-12 is not yet supported by xcrysden. > Please suggest the possible alternatives. Here is the trick how you can still see the pertinent structure with xcrysden: 1. generate your input file 2. run pw.x on this input file for, say, only a few seconds, so that the initial coordinates are written to output file, i.e.: pw.x < file.in > file.out (press Control-C after a few seconds) 3. visualize the "Initial Coordinates" from this input file, i.e.: xcrysden --pwo file.out 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