###################################
@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
  PROJECT second
  RUN_TYPE $RUN_TYPE
  PRINT_LEVEL $PRINT_LEVEL
&END GLOBAL
&FORCE_EVAL
  &PROPERTIES
    &LINRES
      MAX_ITER 1000
      PRECONDITIONER FULL_SINGLE_INVERSE
      EPS $EPS_LINRES
      &PRINT
        &PROGRAM_RUN_INFO
        &END
      &END PRINT
      &DCDR
        &PRINT
          &APT
            FILENAME __STD_OUT__
          &END
        &END PRINT
      &END DCDR
    &END LINRES
  &END PROPERTIES
  METHOD Quickstep
  &DFT
    UKS T
    MULTIPLICITY 1
    CHARGE 0
    BASIS_SET_FILE_NAME $BASIS_SET_FILE_NAME
    POTENTIAL_FILE_NAME POTENTIAL
    &MGRID
      NGRIDS 4
      CUTOFF $CUTOFF
    &END MGRID
    &QS
      EXTRAPOLATION ASPC
      EXTRAPOLATION_ORDER  3
      METHOD GPW
    &END QS
    &SCF
      SCF_GUESS ATOMIC
      EPS_SCF $EPS_SCF
      &OT
        PRECONDITIONER FULL_SINGLE_INVERSE
      &END OT
    &END SCF
    &PRINT
      &MOMENTS
        PERIODIC FALSE
      &END MOMENTS
    &END PRINT
    &POISSON
      POISSON_SOLVER ANALYTIC
      PERIODIC NONE
    &END
    &XC
      &XC_FUNCTIONAL $FUNCTIONAL
      &END
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      PERIODIC NONE
      ABC [angstrom] 5.0 5.0 5.0
    &END CELL
    &KIND DEFAULT
      BASIS_SET $BASIS_SET
      POTENTIAL GTH-$FUNCTIONAL
    &END KIND
    &COORD
      O   0.000000    0.000000    0.000000    
      H   0.000000    0.769665   -0.591648     
      H   0.000000   -0.769665   -0.591648    
    &END COORD
  &END SUBSYS
&END FORCE_EVAL
