Manual:DIRRCI:RASORB

From Diracwiki

Jump to: navigation, search

Contents

&RASORB -- Specify the type of CI and the active space

NELEC

Number of electrons (excluding frozen core electrons).

Default:

NELEC=0

NRAS1

Number of spinors in the RAS1 space for each abelian irrep.

Default:

NRAS1=NSYMRP*0

NRAS2

Number of spinors in the RAS2 space for each abelian irrep.

Default:

NRAS2=NSYMRP*0

MAXH1

Maximum number of holes in RAS1 spinors.

Default:

MAXH1=0

MAXE3

Maximum number of electrons in RAS3 spinors.

Default:

MAXE3=0
Personal tools