SYNTAX : HLOC x y z TYPE name1...atom name3 M-H_dist1...M-H_dist3 sig1...sig3 ni
This instruction is used to refine a hydride position as determined by initial use of TERM, EDGE or FACB instructions. Up to 10 HLOC intructions may be used in one job to co-refine hydride positions at x, y, z (fractional coordinates) of type TYPE (i.e. TERM, EDGE or FACB) bonded to atoms given by name1..name3 at distances M-H_dist1...M-H_dist3 Å with uncertainties sig1...sig3 Å. Inter hydride potential energy terms are evaluated, and the hydrogen positions refined.