Questions about printing out unoccupied molecular orbitals (LUMO, LUMO+x)

[zh]

Thank you very much for your reply.

The input and log files are included in the attached 'lumos-
problems.tar.gz'

My input file:

&FORCE_EVAL
  METHOD Quickstep
  &DFT
#   LSD
    &MGRID
      CUTOFF 280
    &END MGRID
    &QS
      METHOD       GAPW
      EPS_DEFAULT  1.0D-14
      EPS_GVG      1.0E-8
      EPS_PGF_ORB  1.0E-8
      QUADRATURE   GC_LOG
      EPSFIT       1.E-4
      EPSISO       1.0E-12
      EPSRHO0      1.E-10
      LMAXN0       2
      LMAXN1       6
      ALPHA0_H     10
      ALPHA0_S     10
    &END QS
    &SCF
      SCF_GUESS  RESTART
      EPS_SCF 3.0E-7
      MAX_SCF 500
      &DIAGONALIZATION
         ALGORITHM STANDARD
      &END DIAGONALIZATION
      MAX_ITER_LUMO 5999
      EPS_LUMO 3.E-7
      ADDED_MOS    10
      &MIXING
#       ALPHA 0.05
           METHOD  BROYDEN_MIXING
           N_SIMPLE_MIX  10
           ALPHA   0.1
           BETA    1.50
           NBROYDEN   6
      &END MIXING
      &SMEAR F
         METHOD FERMI_DIRAC
         ELECTRONIC_TEMPERATURE [K]  600
      &END SMEAR
      &OT F
      &END OT
    &END SCF
    BASIS_SET_FILE_NAME   ../EMSL_BASIS_SETS
    POTENTIAL_FILE_NAME   ../POTENTIAL
    &XC
      &XC_FUNCTIONAL PBE
      &END XC_FUNCTIONAL
    &END XC
    &POISSON
      PERIODIC        XYZ
      POISSON_SOLVER  PERIODIC
    &END POISSON
    &PRINT
      &MO
        EIGENVALUES
        OCCUPATION_NUMBERS
      &END MO
      &MO_CUBES
         NHOMO  3
         NLUMO  10
         WRITE_CUBE .TRUE.
      &END MO_CUBES
    &END PRINT
  &END DFT
  &SUBSYS
    &CELL
      ABC  12  12   12
    &END CELL
    &COORD
  C         0.0000000001        1.3998977949        6.000000000
  C        -1.2123471147        0.6999589170        6.000000000
  C        -1.2123471149       -0.6999589168        6.000000000
  C        -0.0000000001       -1.3998977949        6.000000000
  C         1.2123471148       -0.6999589169        6.000000000
  C         1.2123471149        0.6999589168        6.000000000
  H         0.0000000000        2.4923734834        6.000000000
  H        -2.1584646684        1.2461924428        6.000000000
  H        -2.1584646683       -1.2461924428        6.000000000
  H         0.0000000000       -2.4923734835        6.000000000
  H         2.1584646684       -1.2461924428        6.000000000
  H         2.1584646683        1.2461924428        6.000000000
    &END COORD
    &KIND H
      BASIS_SET 6-311G**
      POTENTIAL ALL
    &END KIND
    &KIND C
      BASIS_SET 6-311G**
      POTENTIAL ALL
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PROJECT c6h6
  RUN_TYPE  ENERGY
  PRINT_LEVEL MEDIUM
&END GLOBAL
&MOTION
  &GEO_OPT
    MAX_ITER 50
    OPTIMIZER BFGS
  &END GEO_OPT
&END MOTION