UO2-2x2x2-coord-0.inp

&GLOBAL
  FLUSH_SHOULD_FLUSH
  PRINT_LEVEL low
  PROJECT UO2-2x2x2-coord-0
  RUN_TYPE energy
&END GLOBAL

&FORCE_EVAL
  METHOD Fist
  STRESS_TENSOR ANALYTICAL
  &MM
    &FORCEFIELD
      &CHARGE
        ATOM U
        CHARGE +3.227252
      &END CHARGE
      &CHARGE
        ATOM O
        CHARGE -1.613626
      &END CHARGE
      &NONBONDED
        &BUCK4RANGES
          A [eV] 11272.6
          ATOMS O O
          B [angstrom^-1] 1/0.1363
          C [eV*angstrom^6] 134.0
          R1 [angstrom] 1.2
          R2 [angstrom] 2.1
          R3 [angstrom] 2.6
          RCUT [angstrom] 5.2
        &END BUCK4RANGES
        &WILLIAMS
          A [eV] 566.498
          ATOMS O U
          B [angstrom^-1] 1/0.42056
          C [eV*angstrom^6] 0.0
          RCUT [angstrom] 5.2
        &END WILLIAMS
        &WILLIAMS
          A [eV] 0.0
          ATOMS U U
          B [angstrom^-1] 0.0
          C [eV*angstrom^6] 0.0
          RCUT [angstrom] 5.2
        &END WILLIAMS
      &END NONBONDED
      &SPLINE
        EMAX_ACCURACY [hartree] 0.02
        EMAX_SPLINE [hartree] 1.0E4
        EPS_SPLINE [hartree] 1.0E-7
        R0_NB [angstrom] 0.1
      &END SPLINE
    &END FORCEFIELD
    &POISSON
      &EWALD
        ALPHA [angstrom^-1] 0.35
        EWALD_TYPE spme
        GMAX 16 16 16
        &RS_GRID
          DISTRIBUTION_TYPE replicated
        &END RS_GRID
      &END EWALD
    &END POISSON
  &END MM
  &SUBSYS
    &CELL
      ABC 10.8949 10.8949 10.8949
    &END CELL
    &COORD
      @INCLUDE ../sample_cp2k/UO2-2x2x2-coord-1.xyz
    &END COORD
    &PRINT
      &CELL
      &END CELL
      &KINDS
      &END KINDS
      &TOPOLOGY_INFO
        UTIL_INFO
        XYZ_INFO
      &END TOPOLOGY_INFO
    &END PRINT
    &TOPOLOGY
      CONNECTIVITY user
      DISABLE_EXCLUSION_LISTS
      PARA_RES off
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL