*CI VECTOR

Purpose:

To obtain initial guess for CI vector(s).

.PLUS COMBINATIONS

Use with ".STARTHDIAGONAL" to choose plus combination of degenerate diagonal elements (STRONGLY RECOMMENDED for calculation of singlet states with ".DETERMINANTS").

.SELECT

READ (LUINP,*) ICONF
Select CSF (or determinant if ".DETERMINANTS") no. ICONF as start configuration.

.STARTHDIAGONAL

Select configurations corresponding to the lowest diagonal elements in the configuration part of the Hessian (this is the default option).

.STARTOLDCI

Start from old CI-vector stored saved on the SIRIUS.RST file.