star(COSCI)

Introduction

CI module written by S.Yamamoto.

Keywords

keyword(PRINT)

Print level.

keyword(NREP)

Number of irreducible representations. For example, D2h-> 1Eg,2Eg,1Eu,2Eu has 4.

keyword(NOPEN)

…

keyword(INACT)

Number of inactive MOs (INACT(IFRP),IFRP=1,NFSYM).

keyword(ACTIVE)

Number of open-shell MOs (ACTIVE(IFRP),IFRP=1,NFSYM).

keyword(GASO)

Number of spinors for each REP ((NGASO(IREP,IOPEN),IREP=1,NREP),J=1,NOPEN) .

keyword(IELC)

(IELC(IOPEN),I=1,NOPEN)

keyword(TRDM)

Number of roots (TRDM(IREP),I=1,NREP).