The scf1 files look absolutely ok. However, previously you reported: "the calculations freeze"; now you report a: forrtl: severe (174): SIGSEGV, segmentation fault occurred
Stack trace terminated abnormally. without any further debugging output. (Did you compile with -traceback ??) I'd suggest to check compilation run x kgen and use fewer k-points for debugging start another scf cycle and ckeck if the problem happens again. maybe a problem with an overloaded NFS-filesystem ? -- P.Blaha -------------------------------------------------------------------------- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-15671 FAX: +43-1-58801-15698 Email: blaha at theochem.tuwien.ac.at WWW: http://info.tuwien.ac.at/theochem/ --------------------------------------------------------------------------