@SET RESTART_WFN          TRUE
@SET WFN_FILE_1           He2-energy-diag-1_0.wfn
@SET WFN_FILE_2           He2-energy-diag-1_0.wfn
@SET PROJECT_NAME         He2-cdft-alphabeta-diag-2
@SET NAME                 ${PROJECT_NAME}
@SET WRITE_WFN            1
@SET CHARGE               1
@SET WRITE_CUBE           FALSE
@SET XYZFILE              He2.xyz
@SET BECKE_ACTIVE         TRUE
@SET BECKE_FRAGMENT       FALSE
@SET MAX_SCF              20
! He+ He
@SET BECKE_TARGET_1       0.0
@SET BECKE_STR_1          0.0
@SET BECKE_TARGET_1_2     1.0
@SET BECKE_STR_1_2        0.0
! He He+
@SET BECKE_TARGET_2       0.0
@SET BECKE_STR_2          0.0
@SET BECKE_TARGET_2_2     -1.0
@SET BECKE_STR_2_2        0.0
@SET BECKE_GLOBAL_CUTOFF  TRUE
@SET BECKE_CUTOFF_ELEMENT FALSE
@SET BECKE_ADJUST_SIZE    FALSE
@SET BECKE_ATOMIC_CHARGES TRUE
@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
@SET NGROUPS              1
@SET OPTIMIZER            NEWTON
@SET JACOBIAN_TYPE        FD1
@SET JACOBIAN_FREQ_1      2
@SET JACOBIAN_FREQ_2      1
@SET BROYDEN_TYPE         BT1
@SET RESTART_JACOBIAN     TRUE
@SET JACOB_VEC1           +120000000.0
@SET JACOB_VEC2           0.0
@SET JACOB_VEC3           0.0
@SET JACOB_VEC4           -90.0
&GLOBAL
  PRINT_LEVEL MEDIUM
  PROJECT ${PROJECT_NAME}
  RUN_TYPE ENERGY
&END GLOBAL

&FORCE_EVAL
  METHOD QS
  @SET BECKE_STR    ${BECKE_STR_2}
  @SET BECKE_STR2   ${BECKE_STR_2_2}
  @SET BECKE_TARGET ${BECKE_TARGET_2}
  @SET BECKE_TARGET2 ${BECKE_TARGET_2_2}
  @SET PROJECT_NAME ${NAME}
  @SET WFN_FILE     ${WFN_FILE_2}
  @INCLUDE subsys.inc
  @INCLUDE dft-common-params-alphabeta.inc
&END FORCE_EVAL
