#CPQA DEPENDS CO.inp
&GLOBAL
  IOLEVEL MEDIUM
  PROJECT xes_core1_homo1
  RUN_TYPE ENERGY
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME ALL_BASIS_SETS
    LSD
    POTENTIAL_FILE_NAME POTENTIAL
    RESTART_FILE_NAME CO-RESTART
    &MGRID
      CUTOFF 150
      NGRIDS 4
    &END MGRID
    &POISSON
      PERIODIC NONE
      POISSON_SOLVER MT
      &MT
        ALPHA 7.0
        REL_CUTOFF 1.2
      &END MT
    &END POISSON
    &QS
      ALPHA0_H 10
      EPSFIT 1.E-4
      EPSISO 1.0E-12
      EPSRHO0 1.E-8
      EPS_GVG 1.0E-8
      EPS_PGF_ORB 1.0E-8
      LMAXN0 2
      LMAXN1 6
      METHOD GAPW
      QUADRATURE GC_LOG
    &END QS
    &SCF
      ADDED_MOS 1 1
      EPS_DIIS 0.4
      EPS_SCF 5.E-6
      MAX_SCF 100
      SCF_GUESS RESTART
      &OT OFF
        PRECONDITIONER FULL_ALL
      &END OT
      &PRINT
        &RESTART OFF
        &END RESTART
        &TOTAL_DENSITIES MEDIUM
        &END TOTAL_DENSITIES
      &END PRINT
    &END SCF
    &XAS
      ADDED_MOS 20
      ATOMS_LIST 1
      ATOMS_LIST 2
      DIPOLE_FORM VELOCITY
      METHOD TP_VAL
      STATE_SEARCH 2
      STATE_TYPE 1s
      &LOCALIZE
      &END LOCALIZE
      &PRINT
        &RESTART
        &END RESTART
        &XAS_SPECTRUM OFF
        &END XAS_SPECTRUM
        &XES_SPECTRUM
        &END XES_SPECTRUM
      &END PRINT
      &SCF
        EPS_DIIS 0.4
        EPS_SCF 0.000001
        MAX_SCF 3
      &END SCF
    &END XAS
    &XC
      &XC_FUNCTIONAL
        &BECKE88
        &END BECKE88
        &LYP
        &END LYP
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 6.0 6.0 6.0
      PERIODIC NONE
    &END CELL
    &COORD
      C         0.000000    0.000000   -0.004108
      O        0.000000    0.000000    1.132332
    &END COORD
    &KIND O
      BASIS_SET 6-31G*
      LEBEDEV_GRID 50
      POTENTIAL ALL
      RADIAL_GRID 100
    &END KIND
    &KIND C
      BASIS_SET 6-31G*
      LEBEDEV_GRID 50
      POTENTIAL ALL
      RADIAL_GRID 100
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
