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30.4 Print options

Setting GPRINT,CIVECTOR=1 prints the ten largest canonical contributions from singles vectors in each iteration.

For EOMPRINT card:

LOCEOM

$\geq 0$: print eom domain informations

POPUL

$\leq 0$: dont print population analysis

The densities saved with DENSAVE can be written into a cube file. Corresponding commands in CUBE module 34.7 are

DENSITY,rec.ifil,cc2

Creates a cube file from the ground state density saved on record rec.ifil.

DENSITY,rec.ifil,full,state=st.1

Creates a cube file from the excited state density of state st.1.

DENSITY,rec.ifil,diff,state=st.1

Creates a cube file from the difference density (full - cc2) for state st.1.