&GLOBAL
	RUN_TYPE ENERGY
	PROJECT_NAME PENTACENE
&END GLOBAL
&FORCE_EVAL
	METHOD QS
	&DFT
		&XC
			&HF
				FRACTION 1.0
			&END HF
			&XC_FUNCTIONAL NONE
			&END XC_FUNCTIONAL
		&END XC
		&QS
			METHOD GAPW
			! All overlaps are considered
			! MIN_PAIR_LIST_RADIUS -1.0
			EPS_FILTER_MATRIX 1.0E-30
			EPS_PGF_ORB 1.0E-30
		&END QS
		&POISSON
			PERIODIC NONE
			POISSON_SOLVER ANALYTIC
		&END POISSON
		BASIS_SET_FILE_NAME def2-svp.1.cp2k
		POTENTIAL_FILE_NAME POTENTIAL
		&PRINT
			&MO_CUBES
				FILENAME MO
				NHOMO 1
				NLUMO 1
				&EACH
					QS_SCF 0
				&END EACH
			&END MO_CUBES
		&END PRINT
	&END DFT
	&SUBSYS
		&CELL
			! Leave sufficient room for the whole chain
			ABC 30.0 30.0 30.0
			PERIODIC NONE
		&END CELL
		&TOPOLOGY
			&CENTER_COORDINATES
			&END CENTER_COORDINATES
			COORD_FILE_FORMAT XYZ
			! Here you can change the molecule that is being investigated
			COORD_FILE_NAME pentacene.xyz
		&END TOPOLOGY
		&KIND C
			BASIS_SET def2-SVP
			POTENTIAL ALL
		&END KIND
		&KIND H
			BASIS_SET def2-SVP
			POTENTIAL ALL
		&END KIND
	&END SUBSYS
&END FORCE_EVAL