21.6 Print options

PRINT,code1=value,code2=value,$\ldots$

Print options. Generally, the value determines how much intermediate information is printed. value=-1 means no print (default for all codes). In some of the cases listed below the specification of higher values will generate even more output than described. The equal signs and zeros may be omitted. All codes may be truncated to three characters. The following codes are allowed (max 7 per card):

ORBITALS:

print orbitals

JOP=0:

print operator list

JOP=1:

print coulomb operators in MO basis

JOP=2:

print coulomb operators in AO and MO basis

KOP:

as JOP for internal exchange operators

KCP=0:

print paging information for CIKEXT

KCP=1:

print external exchange operators in MO basis

KCP=2:

print operators in AO and MO basis

DM=0:

print paging information for CIDIMA

DM=1:

print density matrix in MO basis

DM=2:

print density matrix in AO and MO basis

FPP=0:

print energy denominators for pairs

FPP=1:

in addition, print diagonal coupling coefficients in orthogonal basis.

FPP=2:

print operators FPP

CP=0:

print update information for pairs in each iteration

CP=1:

print pair matrix updates (MO basis)

CP=2:

in addition print pair matrices (MO basis)

CP=3:

print CP in AO basis (in CIKEXT)

CI=0:

print convergence information for internal CI

CI=1:

print internal CI coefficients and external expansion coefficients

CS:

as CP for singles

CPS=0:

print paging information for CICPS

CPS=1:

print matrices CPS in MO basis

GPP=0:

print paging information for CIGPQ

GPP=1:

print matrices GP at exit of CIGPQ

GPS=0:

print paging information for CIGPS

GPS=1:

print vectors GS at exit CIGPS

GSP=1:

print matrices GP at exit CIGPS

GPI=0:

print paging information for CIGPI

GPI=1:

print total GP in orthogonal basis

GPI=2:

print matrices GP and TP

GIP=0:

print paging information for CIGIP

GIP=1:

print GI at exit CIGIP

GSS=0:

print paging information for CIGSS

GSS=1:

print vectors GS at exit CIGSS

GSI=0:

print paging information for CIGSI

GSI=1:

print GS at exit CIGSI

GIS=0:

print paging information for CIGIS

GIS=1:

print GI at exit CIGIS

GII:

print intermediate information in internal CI

DPQ:

print coupling coefficients $\alpha(P,Q)$

EPQ:

print coupling coefficients $\beta(P,Q)$

HPQ:

print coupling coefficients $\gamma(P,Q)$

DPI:

print coupling coefficients for pair-internal interactions

DSS:

not yet used

DSI:

not yet used

LOG:

At end of each iteration, write summary to log file. Delete at end of job if LOG=0

CC=0:

print address lists for coupling coefficients

CC=1:

print coupling coefficients

DEN=1:

print internal first order density

DEN=2:

print internal second order density

DEN=3:

print internal third order density

DEN=4:

print first, second and third order densities

GAM=1:

print first order transition densities

GAM=2:

print second order transition densities

GAM=3:

print first and second order transition densities

PAIRS=0:

print list of non redundant pairs

PAIRS=1:

print list of all pairs

CORE=0:

print summary of internal configurations ($N, N-1$ and $N-2$ electron)

CORE=1:

print internal configurations ($N, N-1, N-2$)

REF=0:

print summary of reference configurations

REF=1:

print reference configurations and their coefficients

PSPACE:

print p-space configurations

HII:

print diagonal elements for internals

HSS:

print diagonal elements for singles

SPQ:

various levels of intermediate information in pair orthogonalization routine.

TEST=0:

print information at each subroutine call

TEST=1:

print in addition information about I/O in LESW, SREIBW

TEST=2:

print also information about I/O in FREAD, FWRITE

CPU:

print analysis of CPU and I/O times

ALL:

print everything at given level (be careful!)