&GLOBAL RUN_TYPE ENERGY PROJECT_NAME H2_2 &END GLOBAL &FORCE_EVAL METHOD QS &DFT BASIS_SET_FILE_NAME def2-qzvpp.1.cp2k POTENTIAL_FILE_NAME POTENTIAL &QS METHOD GAPW &END QS &XC &XC_FUNCTIONAL PBE &END XC_FUNCTIONAL &END XC &POISSON PERIODIC NONE POISSON_SOLVER ANALYTIC &END POISSON &END DFT &SUBSYS &CELL ABC 25.0 10.0 10.0 PERIODIC NONE &END CELL &TOPOLOGY &CENTER_COORDINATES &END CENTER_COORDINATES COORD_FILE_FORMAT XYZ COORD_FILE_NAME H2_2.xyz &END TOPOLOGY &KIND H BASIS_SET def2-QZVPP POTENTIAL ALL &END KIND &END SUBSYS &END FORCE_EVAL