###################################
@SET RUN_TYPE ENERGY_FORCE
@SET CUTOFF 200
@SET FUNCTIONAL LDA
@SET PRINT_LEVEL MEDIUM
@SET BASIS_SET_FILE_NAME GTH_BASIS_SETS
@SET BASIS_SET SZV-GTH
@SET EPS_SCF 1.08E-5
@SET EPS_LINRES 5.0E-5
###################################
&GLOBAL
  PRINT_LEVEL $PRINT_LEVEL
  PROJECT second
  RUN_TYPE $RUN_TYPE
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME $BASIS_SET_FILE_NAME
    CHARGE 0
    POTENTIAL_FILE_NAME POTENTIAL
    &MGRID
      CUTOFF $CUTOFF
    &END MGRID
    &POISSON
      PERIODIC NONE
      POISSON_SOLVER ANALYTIC
    &END POISSON
    &PRINT
      &MOMENTS
        PERIODIC FALSE
      &END MOMENTS
    &END PRINT
    &QS
      EXTRAPOLATION ASPC
      EXTRAPOLATION_ORDER 3
      METHOD GPW
    &END QS
    &SCF
      EPS_SCF $EPS_SCF
      SCF_GUESS ATOMIC
      &OT
        PRECONDITIONER FULL_SINGLE_INVERSE
      &END OT
    &END SCF
    &XC
      &XC_FUNCTIONAL $FUNCTIONAL
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &PROPERTIES
    &LINRES
      EPS $EPS_LINRES
      MAX_ITER 1000
      PRECONDITIONER FULL_SINGLE_INVERSE
      &PRINT
        &PROGRAM_RUN_INFO
        &END PROGRAM_RUN_INFO
      &END PRINT
      &VCD
        &PRINT
          &VCD
            FILENAME __STD_OUT__
          &END VCD
        &END PRINT
      &END VCD
    &END LINRES
  &END PROPERTIES
  &SUBSYS
    &CELL
      ABC [angstrom] 5.0 5.0 5.0
      PERIODIC NONE
    &END CELL
    &COORD
      O   0.000000    0.000000    0.000000
      H   0.000000    0.769665   -0.591648
      H   0.000000   -0.769665   -0.591648
    &END COORD
    &KIND DEFAULT
      BASIS_SET $BASIS_SET
      POTENTIAL GTH-$FUNCTIONAL
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
