Hello, Beyond 100 scf cycles (for big cell calculations)there is a problem when displaying a graph (from extra menu) from an abinit3.1.3 out file. All the energy points are drawn at the top of the graph beyond 100 scf cycles. Yours sincerely
Guillaume HERLEM, assistant professor Universit� de Franche-Comt� Laboratoire de Chimie des Mat�riaux & Interfaces UFR Sciences & Techniques 16 route de Gray - La Bouloie 25 030 BESANCON Cedex t�l/fax: 03 81 66 62 94 (bureau) t�l : 03 81 66 66 18 (salle AFM/STM) web: http://electrochimie.univ-fcomte.fr ------------------------------------------------------- This SF.net email is sponsored by: VM Ware With VMware you can run multiple operating systems on a single machine. WITHOUT REBOOTING! Mix Linux / Windows / Novell virtual machines at the same time. Free trial click here: http://www.vmware.com/wl/offer/345/0 _______________________________________________ Jmol-users mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-users
