On Sat, 2012-04-14 at 20:28 +0100, Elie M wrote: > Dear all, > > > I am testing the molecular dynamics package on monolayer graphene: the > molecular dynamics I am doing is simply "calculation= 'md', using > pw.x; Is there a way to visualize the output using XCrySDEN or is this > option only for calculation='cp'?
You can visualize structures from the pw.x output file as: xcrysden --pwo filename (if the number of structures in the output file ss huge than consider using the "lighting off" mode (click the corresponding radiobutton on the right toolbox) 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
