@SET RESTART_WFN          TRUE
@SET WFN_FILE_1           He2H-cdft-state-1a-1_0.wfn
@SET WFN_FILE_1b          He2H-cdft-state-1b-1_0.wfn
@SET WFN_FILE_2           He2H-cdft-state-2a-1_0.wfn
@SET WFN_FILE_2b          He2H-cdft-state-2b-1_0.wfn
@SET PROJECT_NAME         He2H-mixed-cdft-1
@SET NAME                 ${PROJECT_NAME}
@SET WRITE_WFN            0
@SET CHARGE               1
@SET WRITE_CUBE           FALSE
@SET XYZFILE              He2H.xyz

@SET BECKE_ACTIVE         TRUE
@SET BECKE_FRAGMENT       FALSE
@SET MAX_SCF              5
! He+ [H He]0
@SET BECKE_TARGET_1       1.2
@SET BECKE_STR_1          0.561093953718
@SET BECKE_TARGET_1b      0.8
@SET BECKE_STR_1b         2.744257349834
! He0 [H He]+
@SET BECKE_TARGET_2       2.4
@SET BECKE_STR_2          -3.951144435823
@SET BECKE_TARGET_2b      2.3
@SET BECKE_STR_2b         -0.538906046282

@SET BECKE_GLOBAL_CUTOFF  FALSE
@SET BECKE_CUTOFF_ELEMENT TRUE

@SET BECKE_ADJUST_SIZE    TRUE

@SET BECKE_ATOMIC_CHARGES FALSE

@SET BECKE_CAVITY_CONFINE TRUE
@SET BECKE_CAVITY_SHAPE   VDW
@SET BECKE_CAVITY_PRINT   FALSE

@SET BECKE_SHOULD_SKIP    TRUE

@SET BECKE_IN_MEMORY      TRUE

&GLOBAL
  PROJECT ${PROJECT_NAME}
  RUN_TYPE ENERGY
  PRINT_LEVEL MEDIUM
&END GLOBAL

&MULTIPLE_FORCE_EVALS
  FORCE_EVAL_ORDER 2 3 4 5
  MULTIPLE_SUBSYS F
&END
&FORCE_EVAL
  METHOD MIXED
  &MIXED
    MIXING_TYPE MIXED_CDFT
    NGROUPS 1
    &MIXED_CDFT
      LAMBDA 1.0
      COUPLING 1
      CI TRUE
      NONORTHO_COUPLING TRUE
      BLOCK_DIAGONALIZE TRUE
      &BLOCK_DIAGONALIZE
        BLOCK 1 2
        BLOCK 3 4
      &END BLOCK_DIAGONALIZE
    &END MIXED_CDFT
    &PRINT
      &PROGRAM_RUN_INFO
      &END
    &END PRINT
  &END MIXED
  @include subsys.inc
&END FORCE_EVAL

&FORCE_EVAL
  METHOD QS
  @SET BECKE_STR    ${BECKE_STR_1}
  @SET BECKE_TARGET ${BECKE_TARGET_1}
  @SET PROJECT_NAME ${NAME}-state-1a
  @SET WFN_FILE     ${WFN_FILE_1}
  @include dft-common-params.inc
&END FORCE_EVAL

&FORCE_EVAL
  METHOD QS
  @SET BECKE_STR    ${BECKE_STR_1b}
  @SET BECKE_TARGET ${BECKE_TARGET_1b}
  @SET PROJECT_NAME ${NAME}-state-1b
  @SET WFN_FILE     ${WFN_FILE_1b}
  @include dft-common-params.inc
&END FORCE_EVAL

&FORCE_EVAL
  METHOD QS
  @SET BECKE_STR    ${BECKE_STR_2}
  @SET BECKE_TARGET ${BECKE_TARGET_2}
  @SET PROJECT_NAME ${NAME}-state-2a
  @SET WFN_FILE     ${WFN_FILE_2}
  @include dft-common-params.inc
&END FORCE_EVAL

&FORCE_EVAL
  METHOD QS
  @SET BECKE_STR    ${BECKE_STR_2b}
  @SET BECKE_TARGET ${BECKE_TARGET_2b}
  @SET PROJECT_NAME ${NAME}-state-2b
  @SET WFN_FILE     ${WFN_FILE_2b}
  @include dft-common-params.inc
&END FORCE_EVAL

