&GLOBAL
  PRINT_LEVEL MEDIUM
  PROJECT wfn_mix_2
  RUN_TYPE ENERGY_FORCE
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME BASIS_SET
    LSD
    POTENTIAL_FILE_NAME POTENTIAL
    &MGRID
      CUTOFF 280
    &END MGRID
    &PRINT
      &MO_CUBES
        NHOMO 4
        NLUMO 4
        WRITE_CUBE .FALSE.
      &END MO_CUBES
      &WFN_MIX
        ! replace HOMO with an orthonormal linear combination of lumo and lumo+1
        &UPDATE
          ORIG_MO_INDEX 1
          ORIG_SCALE .70710678118654752440
          ORIG_SPIN_INDEX BETA
          ORIG_TYPE VIRTUAL
          RESULT_MO_INDEX 1
          RESULT_SCALE 0.0
          RESULT_SPIN_INDEX ALPHA
        &END UPDATE
        &UPDATE
          ORIG_MO_INDEX 2
          ORIG_SCALE .70710678118654752440
          ORIG_SPIN_INDEX BETA
          ORIG_TYPE VIRTUAL
          RESULT_MO_INDEX 1
          RESULT_SCALE 1.0
          RESULT_SPIN_INDEX ALPHA
        &END UPDATE
      &END WFN_MIX
    &END PRINT
    &QS
      EPS_DEFAULT 1.0E-12
    &END QS
    &SCF
      EPS_SCF 3.0E-7
      MAX_SCF 50
      SCF_GUESS ATOMIC
      &DIAGONALIZATION
        ALGORITHM STANDARD
      &END DIAGONALIZATION
    &END SCF
    &XC
      &XC_FUNCTIONAL BLYP
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 5.0 5.0 5.0
    &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-GTH-BLYP
      POTENTIAL GTH-BLYP-q1
    &END KIND
    &KIND O
      BASIS_SET DZVP-GTH-BLYP
      POTENTIAL GTH-BLYP-q6
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
