[CP2K-user] I can't find homo-lumo gap in the output file

[Malin Khalil]

Dear CP2K users
I am working on studying the homo lumo gap of carbon nanotubes, but the 
output file does not show it.
I have already perform calculations without smearing and the output was 
showing the homo lumo gap
could you please tell me where is the wrong?


best regards, 
Malin Khalil

my input:
&GLOBAL
  PROJECT CNT
  RUN_TYPE ENERGY
  PRINT_LEVEL LOW
PREFERRED_FFT_LIBRARY FFTW
&END GLOBAL
&FORCE_EVAL
  METHOD Quickstep
  &SUBSYS
    &CELL 
ABC 34.000 34.000 34.000
PERIODIC NONE

    &END CELL
    &TOPOLOGY
&CENTER_COORDINATES
&END CENTER_COORDINATES
      COORD_FILE_NAME 24.xyz
      COORD_FILE_FORMAT XYZ
    &END
  &KIND C
      BASIS_SET DZVP-GTH
      POTENTIAL GTH-PBE-q4
  &END KIND
&KIND H
      BASIS_SET DZVP-GTH
      POTENTIAL GTH-PBE-q1
  &END KIND

  &END SUBSYS
    &DFT 
   BASIS_SET_FILE_NAME  HFX_BASIS
   POTENTIAL_FILE_NAME  POTENTIAL
        
MULTIPLICITY 1
CHARGE 0
        
&MGRID
      NGRIDS 4
      CUTOFF 300
      REL_CUTOFF 60
    &END MGRID
    &QS

       METHOD GPW 
     EPS_DEFAULT 1.0E-14
EPS_FILTER_MATRIX 0
      EPS_PGF_ORB 1E-32
    &END
    &PRINT
       &E_DENSITY_CUBE ON
       &END E_DENSITY_CUBE

      &MO_CUBES
         NHOMO  5
         NLUMO  5
WRITE_CUBE .True.

      &END MO_CUBES
    &END

    &SCF
     SCF_GUESS ATOMIC
     EPS_SCF 8.0E-5
     MAX_SCF 100
     ADDED_MOS  50
     CHOLESKY INVERSE
     &SMEAR  ON
         METHOD FERMI_DIRAC
         ELECTRONIC_TEMPERATURE [K] 800
     &END SMEAR
     &DIAGONALIZATION
          ALGORITHM STANDARD
     &END DIAGONALIZATION
     &MIXING
          METHOD BROYDEN_MIXING
            ALPHA 0.2
            BETA 1.5
            NBROYDEN 8
      &END MIXING
    &END SCF
    &XC
    &XC_FUNCTIONAL
       &LYP
         SCALE_C 0.81
       &END
       &BECKE88
         SCALE_X 0.72
       &END
       &VWN
         FUNCTIONAL_TYPE VWN5
         SCALE_C 0.19
       &END
       &XALPHA
         SCALE_X 0.08
       &END
      &END XC_FUNCTIONAL
    &END XC

&POISSON
PERIODIC NONE
POISSON_SOLVER WAVELET
&END POISSON
  &END DFT
  &END FORCE_EVAL

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