&GLOBAL
  PRINT_LEVEL LOW
  PROJECT H_FCC_WANNIER90_SCF_MP_4_BLOCH_VALIDATE_SPGLIB
  RUN_TYPE ENERGY
&END GLOBAL

&FORCE_EVAL
  &DFT
    BASIS_SET_FILE_NAME BASIS_MOLOPT_UZH
    POTENTIAL_FILE_NAME POTENTIAL_UZH
    &KPOINTS
      EPS_SYMMETRY 1.e-8
      FULL_GRID OFF
      PARALLEL_GROUP_SIZE 2
      SCHEME MONKHORST-PACK 4 4 4
      SYMMETRY ON
      SYMMETRY_BACKEND SPGLIB
      VERBOSE T
      WAVEFUNCTIONS COMPLEX
    &END KPOINTS
    &MGRID
      CUTOFF 100
      REL_CUTOFF 30
    &END MGRID
    &PRINT
      &WANNIER90 ON
        KPOINTS_SOURCE SCF
        SEED_NAME H_FCC_WANNIER90_SCF_MP_4_BLOCH_VALIDATE_SPGLIB
        USE_BLOCH_PHASES T
        VALIDATE_REUSE_SCF_MOS T
        WANNIER_FUNCTIONS 4
      &END WANNIER90
    &END PRINT
    &QS
      EPS_DEFAULT 1.0E-10
      METHOD GPW
    &END QS
    &SCF
      CHOLESKY OFF
      EPS_EIGVAL 1.e-8
      EPS_SCF 1.0E-9
      MAX_SCF 100
      SCF_GUESS ATOMIC
      &MIXING
        ALPHA 0.50
        METHOD BROYDEN_MIXING
      &END MIXING
      &PRINT
        &RESTART OFF
        &END RESTART
      &END PRINT
    &END SCF
    &XC
      &XC_FUNCTIONAL PBE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 3.56683 3.56683 3.56683
    &END CELL
    &COORD
      SCALED
      H     0.000000    0.000000    0.000000
      H     0.500000    0.500000    0.000000
      H     0.500000    0.000000    0.500000
      H     0.000000    0.500000    0.500000
      H     0.250000    0.250000    0.250000
      H     0.250000    0.750000    0.750000
      H     0.750000    0.250000    0.750000
      H     0.750000    0.750000    0.250000
    &END COORD
    &KIND H
      BASIS_SET ORB DZVP-MOLOPT-GGA-GTH-q1
      POTENTIAL GTH-GGA-q1
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
