&GLOBAL
  ! change name for each different run performed
  PROJECT mode1
  RUN_TYPE ENERGY             
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  &DFT

    &PRINT
       &E_DENSITY_CUBE        !  section to print the electronic density of the system (Task 2)
       &END E_DENSITY_CUBE
    &END

    BASIS_SET_FILE_NAME BASIS_SETS            
    ! This keyword refers the input to an external basis file, which has to be in the same directory as this input file
    POTENTIAL_FILE_NAME POTENTIALS            
    ! This keyword refers the input to an external potential file, which has to be in the same directory as this input file

    &SCF                                      ! Ensures convergence of SCF and simulations stability. This section should not be changed
      MAX_SCF 50
      &OT
        PRECONDITIONER FULL_SINGLE_INVERSE
      &END OT
      &OUTER_SCF
        MAX_SCF 10
      &END
    &END SCF

    &XC
      &XC_FUNCTIONAL PBE
      &END XC_FUNCTIONAL
    &END XC


  &END DFT
    
  &SUBSYS
    &CELL
      ABC 10.2270 11.3460 20.000
    &END CELL
    &COORD
    
! Here you either manually insert the coordinates of the system (as usual) OR use the @INCLUDE statement like this:
@INCLUDE 'mode1.coord'        ! The mode1.coord file must be present in the same directory as the input. 
                              ! The file should be similar to an *.xyz file but without the total number of atoms at the beginning
 
   &END COORD
    &KIND H                                 ! All basis sets and potentials are looked up in the external files specified above.
      BASIS_SET DZVP-MOLOPT-GTH             ! search in the external basis file (specified above) the one named DZVP-MOLOPT-GTH for H.
      POTENTIAL GTH-PBE-q1                  ! search in the external potential file (specified above) the one named GTH-PBE-q1 for H.
    &END KIND
    &KIND C
      BASIS_SET DZVP-MOLOPT-GTH
      POTENTIAL GTH-PBE-q4
    &END KIND
    &KIND O
      BASIS_SET DZVP-MOLOPT-GTH
      POTENTIAL GTH-PBE-q6
    &END KIND
    &KIND Ti
      BASIS_SET DZVP-MOLOPT-SR-GTH
      POTENTIAL GTH-PBE-q12
    &END KIND
  &END SUBSYS
&END FORCE_EVAL