XHYDEX - EDGE

Search for Edge-Bridging Hydrogen Atom


SYNTAX : EDGE name1 name2 M-H_dist1 M-H_dist2 sig1 sig2 ni

As for the TERM instruction, this causes a search for a hydride bonded to the metal atoms given by name1 and name2 at distances M-H_dist1, M-H_dist2 Å. Default settings of M-H_dist, sigand ni are 1.85, 0.05, 250 respectively. If M-H dist2 is not given (i.e. sig1, sig2 and ni are also omitted) then M-H_dist2 is assumed to be equal to M-H_dist1.