Positronic systems

This is an example on how to run a Configuration Interaction, CI calculations for PsH

GEOMETRY
	e-(H)   SHARON-E-6S2P 	0.00	0.00 	0.00 addParticles=1 
	H	dirac			0.00	0.00 	0.00
	e+	SHARON-E+6S2P	0.00	0.00	0.00
END GEOMETRY

TASKS
	method = "UHF"
	configurationInteractionLevel ="FCI"
	!configurationInteractionLevel ="CISD"
END TASKS

CONTROL
readCoefficients=F
numberOfCIstates=3
CINaturalOrbitals=T
	CIStatesToPrint = 1
	!CIdiagonalizationMethod = "DSYEVX"
	CIdiagonalizationMethod = "JADAMILU"
	!CIPrintEigenVectorsFormat = "NONE"
	CIPrintEigenVectorsFormat = "OCCUPIED"
	!CIPrintEigenVectorsFormat = "ORBITALS"
	CIPrintThreshold = 5e-2
	buildTwoParticlesMatrixForOneParticle=T
END CONTROL

INPUT_CI
	species="E-ALPHA" core=0 active=0 
	species="E-BETA" core=0 active=0 
	species="E+" core=0 active=0 
END INPUT_CI