&GLOBAL
   PROJECT Silicon_TD5_MOLOPT
   RUN_TYPE ENERGY_FORCE
   PRINT_LEVEL MEDIUM
&END GLOBAL

&FORCE_EVAL
   METHOD Quickstep
	
	&PROPERTIES
    &TDDFPT
       NSTATES     10
       MAX_ITER    50    		!default
       CONVERGENCE [eV] 1.0e-5	!default

    &END TDDFPT
    &END PROPERTIES
   
   &SUBSYS      
    &KIND Si
      ELEMENT	Si
      BASIS_SET DZVP-MOLOPT-GTH-q4
      POTENTIAL GTH-PBE-q4
    &END KIND
    &CELL
      ABC     3.885     3.885	3.885
      ALPHA_BETA_GAMMA	60.00000000	60.00000000	60.00000000
	  SYMMETRY RHOMBOHEDRAL
	  PERIODIC XYZ
	  MULTIPLE_UNIT_CELL 5  5  5
    &END CELL
	
	&TOPOLOGY
	  MULTIPLE_UNIT_CELL 5  5  5
	&END TOPOLOGY
	
    &COORD
	Si        -0.0000007926        0.0000003206        0.0000018588
	Si         1.9423432896        1.1214161297        0.7929537483
    &END COORD
   &END SUBSYS
   
   &DFT
      BASIS_SET_FILE_NAME  ./BASIS_MOLOPT
      POTENTIAL_FILE_NAME  ./POTENTIAL
	  &POISSON
         PERIODIC XYZ   		!default
      &END POISSON
      
	  &QS
         EXTRAPOLATION USE_GUESS !required for K-Point sampling
         EPS_DEFAULT 1.0E-10	!default
      &END QS
      
	  &MGRID
         NGRIDS 4 !default
         CUTOFF 280 !default
         REL_CUTOFF 40 !default
      &END MGRID
      
	  &XC
         &XC_FUNCTIONAL PBE
         &END XC_FUNCTIONAL
		 &XC_GRID
         XC_DERIV SPLINE2_SMOOTH
         &END XC_GRID
      &END XC
      
	  &SCF
         SCF_GUESS ATOMIC		!default
         EPS_SCF 1.0E-5			!default
         MAX_SCF 300
         ADDED_MOS 10		
         &DIAGONALIZATION ON
            ALGORITHM STANDARD	!default
         &END DIAGONALIZATION
         &MIXING  T
            METHOD BROYDEN_MIXING
            ALPHA 0.4			!default
            NBROYDEN 4			!default
         &END MIXING
         &SMEAR  ON
            METHOD FERMI_DIRAC
            ELECTRONIC_TEMPERATURE [K] 300
         &END SMEAR
      &END SCF
	  
   &END DFT
&END FORCE_EVAL