PATHS

perform paths over the PES, only works with quaternion apporach. A deMon.pth.inp file contain the points defined with CHKPTS NAME=PT1 followed by a line per subsystem defined with quaternions (see quaternions keyword for this general input) like for instance :" 1 0.0 0.0 0.0 1.0 0.0 0.0 0.0"

NMOL=

number of subsystems

NPTS=

number of points

NPTHS=

number of paths