[CPMD-list] Hints On Energy Bands

[abdenour sabir]

Dear All

this is portion of my input file to calculate the band structure for 
graphite. So far I haven' been able to reproduce the results given in the 
literature. Is there anything wrong with it? Thanks in advance for your 
help.

&CPMD
  KOHN-SHAM ENERGIES
  0
  RESTART WAVEFUNCTIONS COORDINATES LATEST
  LANCZOS DIAGONALIZATION
  ENERGYBANDS
&END

&SYSTEM
   SYMMETRY
    4
   CELL
    13.9518  1.0    0.44000   0.0 0.0 -0.5
   STATES
   40
   CUTOFF
    13.00
   KPOINTS BANDS
   10
   0.0 0.00000 0.0
   0.5 0.28867 0.0
   0 0. 0. 0. 0. 0. 0.
&END



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