On Fri, Sep 02, 2016 at 10:12:46PM +0800, Robert Laskowski wrote: > Hi, > > it could be that the program cuts your rkmax for larger systems. > grep :RKM to check what was used.
Of course, silly me. Should've read the manual after all. ;( :WARN : WARNING: RKmax reduced due to NMATMAX :WARN : WARNING: NE limited by NUME in param.inc Thanks a lot! MZ _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://firstname.lastname@example.org/index.html