HMIN

HMIN
	Appendix A. Keyword Reference

Name

HMIN — Minimum allowed step length for IRC/Path.

Synopsis

 HMIN=n.n

Description

By default, the minimum step length in the path integration is 0.001 Angstroms for IRC and 0.002 Angstroms for PATH. This minimum step length is set to n.n Angstroms by the HMIN keyword. HMIN cannot be set below 1.0 × 10^-6 Angstroms.

Abbreviation:

none

Requires:

IRC or PATH

Implies:

none

Default value:

0.001 Angstroms for IRC; 0.002 Angstroms for PATH


HGAS		HYPERFINE