			&GLOBAL
			PROJECT test
			RUN_TYPE ENERGY_FORCE
			PRINT_LEVEL LOW
			&END GLOBAL
			&FORCE_EVAL
			METHOD Quickstep
			&SUBSYS
			&KIND Si
			ELEMENT Si
			BASIS_SET DZVP-GTH-PADE
			POTENTIAL GTH-PADE-q4
			&END KIND
			&CELL
			A 5.430697500 0.000000000 0.000000000
			B 0.000000000 5.430697500 0.000000000
			C 0.000000000 0.000000000 5.430697500
			&END CELL
			&COORD
			Si 0.000000000 0.000000000 0.000000000
			Si 0.000000000 2.715348700 2.715348700
			Si 2.715348700 2.715348700 0.000000000
			Si 2.715348700 0.000000000 2.715348700
			Si 4.073023100 1.357674400 4.073023100
			Si 1.357674400 1.357674400 1.357674400
			Si 1.357674400 4.073023100 4.073023100
			Si 4.073023100 4.073023100 1.357674400
			&END COORD
			&END SUBSYS
			&DFT
			BASIS_SET_FILE_NAME BASIS_SET
			POTENTIAL_FILE_NAME GTH_POTENTIALS
			&QS
			EPS_DEFAULT 1.0E-10
			&END QS
			&MGRID
			NGRIDS 4
			CUTOFF 300
			REL_CUTOFF 60
			&END MGRID
			&XC
			&XC_FUNCTIONAL PADE
			&END XC_FUNCTIONAL
			&END XC
			&SCF
			SCF_GUESS ATOMIC
			EPS_SCF 1.0E-7
			MAX_SCF 300
			&DIAGONALIZATION ON
			ALGORITHM STANDARD
			&END DIAGONALIZATION
			&MIXING T
			METHOD BROYDEN_MIXING
			ALPHA 0.4
			NBROYDEN 8
			&END MIXING
			&END SCF
			&END DFT
			&PRINT
			&FORCES ON
			&END FORCES
			&END PRINT
			&END FORCE_EVAL

scitas-examples/Modules/cp2k/test.inp
f5fa52c67f36master

test.inp
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