&GLOBAL
  PRINT_LEVEL low
  PROJECT H2O-UKS-GPW-relax_multip
  RUN_TYPE geo_opt
&END GLOBAL

&MOTION
  &GEO_OPT
    MAX_DR 0.001
    MAX_FORCE 0.00015
    MAX_ITER 30
    OPTIMIZER BFGS
    RMS_DR 0.0005
    RMS_FORCE 0.0001
  &END GEO_OPT
  &PRINT
    &STRESS
    &END STRESS
    &STRUCTURE_DATA
      ANGLE 2 1 3
      DISTANCE 1 2
      DISTANCE 1 3
      DISTANCE 2 3
      POSITION 1
      POSITION 2
      POSITION 3
    &END STRUCTURE_DATA
  &END PRINT
&END MOTION

&FORCE_EVAL
  METHOD Quickstep
  STRESS_TENSOR ANALYTICAL
  &DFT
    BASIS_SET_FILE_NAME BASIS_SET
    LSD
    MULTIP 3
    POTENTIAL_FILE_NAME POTENTIAL
    RELAX_MULTIP 1.0E-5
    &MGRID
      CUTOFF 200
    &END MGRID
    &POISSON
      PERIODIC none
      PSOLVER MT
    &END POISSON
    &QS
      EPS_DEFAULT 1.0E-8
      EXTRAPOLATION use_prev_p
    &END QS
    &SCF
      ADDED_MOS 1 1
      EPS_SCF 1.0E-5
      SCF_GUESS atomic
    &END SCF
    &XC
      &XC_FUNCTIONAL Pade
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 8.0 8.0 8.0
      PERIODIC none
    &END CELL
    &COORD
      O   0.000000     0.000000    -0.106970
      H   0.000000    -0.772620     0.488830
      H   0.000000     0.772620     0.488830
    &END COORD
    &KIND H
      BASIS_SET DZV-GTH-PADE
      POTENTIAL GTH-PADE-q1
    &END KIND
    &KIND O
      BASIS_SET DZVP-GTH-PADE
      POTENTIAL GTH-PADE-q6
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
