#Generated by Multiwfn
&GLOBAL
  PROJECT test
  PRINT_LEVEL LOW
  RUN_TYPE ENERGY
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  &SUBSYS
    &CELL
      A     7.13358000     0.00000000     0.00000000
      B     0.00000000     7.13358000     0.00000000
      C     0.00000000     0.00000000     7.13358000
    &END CELL
    &COORD
      C     0.00000000    0.00000000    0.00000000
      C     0.89169753    0.89169753    0.89169753
      C     0.00000000    1.78339506    1.78339506
      C     2.67509260    0.89169753    2.67509260
      C     1.78339506    0.00000000    1.78339506
      C     0.89169753    2.67509260    2.67509260
      C     1.78339506    1.78339506    0.00000000
      C     2.67509260    2.67509260    0.89169753
      C     3.56679013    0.00000000    0.00000000
      C     4.45848766    0.89169753    0.89169753
      C     3.56679013    1.78339506    1.78339506
      C     6.24188272    0.89169753    2.67509260
      C     5.35018519    0.00000000    1.78339506
      C     4.45848766    2.67509260    2.67509260
      C     5.35018519    1.78339506    0.00000000
      C     6.24188272    2.67509260    0.89169753
      C     0.00000000    3.56679013    0.00000000
      C     0.89169753    4.45848766    0.89169753
      C     0.00000000    5.35018519    1.78339506
      C     2.67509260    4.45848766    2.67509260
      C     1.78339506    3.56679013    1.78339506
      C     0.89169753    6.24188272    2.67509260
      C     1.78339506    5.35018519    0.00000000
      C     2.67509260    6.24188272    0.89169753
      C     3.56679013    3.56679013    0.00000000
      C     4.45848766    4.45848766    0.89169753
      C     3.56679013    5.35018519    1.78339506
      C     6.24188272    4.45848766    2.67509260
      C     5.35018519    3.56679013    1.78339506
      C     4.45848766    6.24188272    2.67509260
      C     5.35018519    5.35018519    0.00000000
      C     6.24188272    6.24188272    0.89169753
      C     0.00000000    0.00000000    3.56679013
      C     0.89169753    0.89169753    4.45848766
      C     0.00000000    1.78339506    5.35018519
      C     2.67509260    0.89169753    6.24188272
      C     1.78339506    0.00000000    5.35018519
      C     0.89169753    2.67509260    6.24188272
      C     1.78339506    1.78339506    3.56679013
      C     2.67509260    2.67509260    4.45848766
      C     3.56679013    0.00000000    3.56679013
      C     4.45848766    0.89169753    4.45848766
      C     3.56679013    1.78339506    5.35018519
      C     6.24188272    0.89169753    6.24188272
      C     5.35018519    0.00000000    5.35018519
      C     4.45848766    2.67509260    6.24188272
      C     5.35018519    1.78339506    3.56679013
      C     6.24188272    2.67509260    4.45848766
      C     0.00000000    3.56679013    3.56679013
      C     0.89169753    4.45848766    4.45848766
      C     0.00000000    5.35018519    5.35018519
      C     2.67509260    4.45848766    6.24188272
      C     1.78339506    3.56679013    5.35018519
      C     0.89169753    6.24188272    6.24188272
      C     1.78339506    5.35018519    3.56679013
      C     2.67509260    6.24188272    4.45848766
      C     3.56679013    3.56679013    3.56679013
      C     4.45848766    4.45848766    4.45848766
      C     3.56679013    5.35018519    5.35018519
      C     6.24188272    4.45848766    6.24188272
      C     5.35018519    3.56679013    5.35018519
      C     4.45848766    6.24188272    6.24188272
      C     5.35018519    5.35018519    3.56679013
      C     6.24188272    6.24188272    4.45848766
    &END COORD
    &KIND C 
      ELEMENT C 
      BASIS_SET DZVP-MOLOPT-SR-GTH
      POTENTIAL GTH-PBE
    &END KIND
  &END SUBSYS

  &DFT
    BASIS_SET_FILE_NAME  BASIS_MOLOPT
    POTENTIAL_FILE_NAME  POTENTIAL
#   WFN_RESTART_FILE_NAME to_be_specified
    CHARGE    0 #Net charge
    MULTIPLICITY  1 #Spin multiplicity
    &QS
      EPS_DEFAULT 1E-10 #This is default. Set all EPS_xxx to values such that the energy will be correct up to this value
    &END QS
    &XC
      &XC_FUNCTIONAL PBE
      &END XC_FUNCTIONAL
    &END XC
    &MGRID
      CUTOFF 350 #Use 500 for high accuracy calculation
      REL_CUTOFF 50 #Use 60 for high accuracy calculation
    &END MGRID
    &SCF
      MAX_SCF 128
      EPS_SCF 1E-5 #Target accuracy for SCF convergence
#     SCF_GUESS RESTART #Uncomment this can restart from WFN_RESTART_FILE_NAME file
      &DIAGONALIZATION
        ALGORITHM STANDARD #Algorithm for diagonalization. DAVIDSON is faster for large systems
      &END DIAGONALIZATION
      &MIXING
        METHOD BROYDEN_MIXING
        ALPHA 0.4 #Default. Mixing 40% of new density matrix with the old one
        NBROYDEN 5 #Default is 4. Number of previous steps stored for the actual mixing scheme
      &END MIXING
    &END SCF
  &END DFT
&END FORCE_EVAL
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