NEWDEN

NEWDEN
	Appendix A. Keyword Reference

Name

NEWDEN — Always start SCF with a new guess density.

Synopsis

 NEWDEN

Description

This flag prevents using the previous density as a start to the current SCF optimization. A diagonal density matrix will be used to start all SCF optimizations.

Abbreviation:

NEWD

Requires:

none

Default value:

none


NCHECK		NEWTON