&GLOBAL
  PRINT_LEVEL SILENT
  PROJECT scalable_GW_kpsym
  RUN_TYPE ENERGY
  &TIMINGS
    THRESHOLD 0.01
  &END TIMINGS
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME BASIS_MOLOPT
    BASIS_SET_FILE_NAME HFX_BASIS
    BASIS_SET_FILE_NAME ./REGTEST_BASIS
    POTENTIAL_FILE_NAME GTH_SOC_POTENTIALS
    SORT_BASIS EXP
    &KPOINTS
      PARALLEL_GROUP_SIZE -1
      SCHEME MONKHORST-PACK 1 4 4
      SYMMETRY ON
      VERBOSE T
    &END KPOINTS
    &MGRID
      CUTOFF 100
      REL_CUTOFF 20
    &END MGRID
    &QS
      EPS_DEFAULT 1.0E-15
      EPS_PGF_ORB 1.0E-15
      METHOD GPW
    &END QS
    &SCF
      ADDED_MOS -1
      EPS_SCF 1.0E-5
      MAX_SCF 100
      SCF_GUESS ATOMIC
    &END SCF
    &XC
      &XC_FUNCTIONAL PBE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &PROPERTIES
    &BANDSTRUCTURE
      &DOS
        KPOINTS 1 2 2
      &END DOS
      &GW
        EPS_FILTER 1.0E-5
        FREQ_MAX_FIT 27.211
        NUM_TIME_FREQ_POINTS 6
      &END GW
      &SOC
      &END SOC
    &END BANDSTRUCTURE
  &END PROPERTIES
  &SUBSYS
    &CELL
      ABC [angstrom] 12.000 6.000 8.000
      MULTIPLE_UNIT_CELL 1 1 1
      PERIODIC YZ
    &END CELL
    &COORD
      H  0.0 -0.5 -4.5
      Te 0.5  0.0  4.5
      H  0.0  0.5 -4.5
    &END COORD
    &KIND H
      BASIS_SET ORB DZVP-GTH
      BASIS_SET RI_AUX RI-dummy-regtest
      POTENTIAL GTH-PBE-q1
    &END KIND
    &KIND Te
      BASIS_SET ORB SZV-MOLOPT-SR-GTH
      BASIS_SET RI_AUX RI-dummy-regtest
      POTENTIAL GTH-PBE-q6
    &END KIND
    &TOPOLOGY
      MULTIPLE_UNIT_CELL 1 1 1
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
