&GLOBAL
 PRINT_LEVEL low
 PROJECT O2-UKS-OTdiag-relax_multip
 RUN_TYPE energy
&END GLOBAL

&FORCE_EVAL
 METHOD Quickstep
 &DFT
  BASIS_SET_FILE_NAME ../../../data/BASIS_SET
  POTENTIAL_FILE_NAME ../../../data/POTENTIAL
  UKS
  MULTIPLICITY 5
  RELAX_MULTIP 1.0E-5
  &MGRID
   CUTOFF 200
  &END MGRID
  &QS
   EPS_DEFAULT 1.0E-8
  &END QS
  &SCF
   ADDED_MOS 2 2
   MAX_SCF 30
   SCF_GUESS atomic
   &DIAGONALIZATION
    ALGORITHM OT
    EPS_ITER 1.0E-5
    MAX_ITER 40
   &END DIAGONALIZATION
  &END SCF
  &XC
   &XC_FUNCTIONAL PADE
   &END XC_FUNCTIONAL
  &END XC
 &END DFT
 &SUBSYS
  &CELL
   ABC 4.0 4.0 6.0
   PERIODIC none
  &END CELL
  &KIND O
   BASIS_SET DZVP-GTH-PADE
   POTENTIAL GTH-PADE-q6
  &END KIND
  &COORD
   O  0.000000  0.000000  0.608000
   O  0.000000  0.000000 -0.608000
  &END COORD
  &PRINT
   &STRUCTURE_DATA
    DISTANCE 1 2
   &END STRUCTURE_DATA
   &KINDS
    BASIS_SET
    POTENTIAL
   &END KINDS
  &END PRINT
 &END SUBSYS
&END FORCE_EVAL
