&GLOBAL
  PREFERRED_DIAG_LIBRARY SL
  PRINT_LEVEL medium
  PROJECT ch3_smeared_occ
  RUN_TYPE ENERGY
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME BASIS_MOLOPT_UZH
    BASIS_SET_FILE_NAME BASIS_MOLOPT
    POTENTIAL_FILE_NAME POTENTIAL
    &MGRID
      CUTOFF 280
      REL_CUTOFF 60
    &END MGRID
    &POISSON
      PERIODIC NONE
      POISSON_SOLVER MT
    &END POISSON
    &QS
      EPS_DEFAULT 1.0E-14
      METHOD GPW
    &END QS
    &SCF
      ADDED_MOS 10
      EPS_SCF 1.0E-7
      MAX_SCF 100
      SCF_GUESS restart
      &OUTER_SCF
        EPS_SCF 1.0E-7
        MAX_SCF 900
      &END OUTER_SCF
      &SMEAR ON
        ELECTRONIC_TEMPERATURE [K] 1000
        EPS_FERMI_DIRAC 1.0E-6
        METHOD FERMI_DIRAC
      &END SMEAR
    &END SCF
    &XC
      &XC_FUNCTIONAL PADE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &PROPERTIES
    &TDDFPT
      CONVERGENCE [eV] 1.0e-5
      DO_SMEARING T
      KERNEL FULL
      MAX_ITER 100
      NSTATES 1
      RKS_TRIPLETS F
      &XC
        &XC_FUNCTIONAL PADE
        &END XC_FUNCTIONAL
      &END XC
    &END TDDFPT
  &END PROPERTIES
  &SUBSYS
    &CELL
      ABC 6.0 6.0 6.0
      PERIODIC NONE
    &END CELL
    &COORD
      UNIT ANGSTROM
      C                  0.000000    0.000000    0.000000
      H                  0.633353    0.633353    0.633353
      H                 -0.633353   -0.633353    0.633353
      H                  0.633353   -0.633353   -0.633353
      H                 -0.633353    0.633353   -0.633353
    &END COORD
    &KIND H
      BASIS_SET DZVP-MOLOPT-PBE-GTH-q1
      POTENTIAL GTH-PBE-q1
    &END KIND
    &KIND C
      BASIS_SET DZVP-MOLOPT-PBE-GTH-q4
      POTENTIAL GTH-PBE-q4
    &END KIND
    &TOPOLOGY
      CONNECTIVITY OFF
      &CENTER_COORDINATES T
      &END CENTER_COORDINATES
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
