@SET RESTART_WFN          TRUE
@SET WFN_FILE             HeH-noconstraint-1_0.wfn
@SET PROJECT_NAME         HeH-cdft-newton-fd1central
@SET WRITE_WFN            0
@SET CHARGE               1
@SET WRITE_CUBE           FALSE
@SET XYZFILE              HeH.xyz
@SET BECKE_ACTIVE         TRUE
@SET BECKE_FRAGMENT       FALSE
@SET MAX_SCF              1
! He+ H
@SET BECKE_TARGET_1       0.0
@SET BECKE_STR_1          0.0
! He H+
@SET BECKE_TARGET_2       2.0
@SET BECKE_STR_2          0.0
@SET BECKE_GLOBAL_CUTOFF  TRUE
@SET BECKE_CUTOFF_ELEMENT FALSE
@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
@SET OPTIMIZER            NEWTON
@SET JACOBIAN_TYPE        FD1_CENTRAL
@SET JACOBIAN_FREQ_1      1
@SET JACOBIAN_FREQ_2      1
@SET BROYDEN_TYPE         BT1
@SET RESTART_JACOBIAN     FALSE
@SET SCF_CONTINUE_LS      FALSE
&GLOBAL
  PRINT_LEVEL MEDIUM
  PROJECT ${PROJECT_NAME}
  RUN_TYPE ENERGY
&END GLOBAL

&FORCE_EVAL
  METHOD QS
  @SET BECKE_STR ${BECKE_STR_1}
  @SET BECKE_TARGET ${BECKE_TARGET_1}
  @INCLUDE dft-common-params.inc
  @INCLUDE subsys.inc
&END FORCE_EVAL
