#CPQA DEPENDS H2O-gapw-all_noortho.inp

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME BASIS_SET
    POTENTIAL_FILE_NAME POTENTIAL
    WFN_RESTART_FILE_NAME gapw_all_pade_no-RESTART.wfn
    &MGRID
      CUTOFF 150
      NGRIDS 1
    &END MGRID
    &QS
      ALPHA0_H 10
      EPS_GVG 1.0E-6
      EPS_PGF_ORB 1.0E-6
      EPSFIT 1.E-4
      EPSISO 1.0E-12
      EPSSVD 0.0
      EPSRHO0 1.E-8
      LMAXN0 2
      LMAXN1 6
      METHOD GAPW
      QUADRATURE GC_LOG

    &END QS
    &SCF
      EPS_SCF 1.0E-4
      SCF_GUESS RESTART
    &END SCF
    &XC
      &XC_FUNCTIONAL Pade
      &END XC_FUNCTIONAL
    &END XC
    &LOCALIZE
       METHOD CRAZY
      &PRINT
        &WANNIER_CENTERS
        &END
        &WANNIER_SPREADS
        &END
      &END
    &END
    &PRINT
    &END
  &END DFT
  &SUBSYS
    &CELL
      A 6.0 .2 .0
      B .0 6.0 .0
      C -.2 .0 6.0
    &END CELL
    &COORD
    O   0.000000    0.000000   -0.065587
    H   0.000000   -0.757136    0.520545
    H   0.000000    0.757136    0.520545
    &END COORD
    &KIND H
      BASIS_SET DZVP-ALL-PADE
      LEBEDEV_GRID 50
      POTENTIAL ALL
      RADIAL_GRID 50
      HARD_EXP_RADIUS 1.5117809071370015011
    &END KIND
    &KIND O
      BASIS_SET TZVP-ALL-PADE
      LEBEDEV_GRID 50
      POTENTIAL ALL
      RADIAL_GRID 50
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL

  PROJECT gapw_all_pade_loc_crazy_no
  PRINT_LEVEL MEDIUM
&END GLOBAL
