*COSCI

Introduction

CI module written by S.Yamamoto.

Keywords

.PRINT

Print level.

.NREP

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

.NOPEN

…

.INACT

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

.ACTIVE

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

.GASO

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

.IELC

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

.TRDM

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