If anything else fails, you may want to refer to the xcrysden mailing list. SB
On Jul 12, 2011, at 8:24 AM, psavita at crlindia.com wrote: > Hello Mahdi, > > I think your input file for pp is fine, only you need to specify > fileout='...,xsf' or copy this file to one with .xsf. > To run Xcrysden you might as well use a command 'xcrysden --xsf .....xsf'. > Once you get the structure, > click the 'Tools' option on screen and then select 'Data Grid'. On success, > you will get a menu to select > isosurface/plane parameters. > > Hope things work now for you. > > Good luck and regards, > > Savita Pundlik > Computational Materials Applied Research Group > Computational Research Laboratories Ltd., > Taco House, Damle Path, Off Law College Road > Pune - 411004, India. > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum --- Stefano Baroni - SISSA & DEMOCRITOS National Simulation Center - Trieste http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype) La morale est une logique de l'action comme la logique est une morale de la pens?e - Jean Piaget Please, if possible, don't send me MS Word or PowerPoint attachments Why? See: http://www.gnu.org/philosophy/no-word-attachments.html -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110712/e113ef79/attachment.htm
