[CPMD-list] Fermi Energy of Bulk Gold

[Zhenyu LI]

Dear All, 

When I used the following input file to calculate the electronic
strucuture of gold,
I got the chemical potential as 1.41 eV. But the popular value is about -5.3 eV.
What's the problem?

&CPMD
  OPTIMIZE WAVEFUNCTION
  MAXSTEP
     500
  LANCZOS DIAGONALISATION
  LANCZOS PARAMETER
    100 16 0 1.E-8
&END

&DFT
  FUNCTIONAL PBE
&END

&SYSTEM
  ANGSTROM
  SCALE
  SYMMETRY
    1
  CELL
    4.0782 1.0 1.0 0.0 0.0 0.0
  CUTOFF
    70
  STATES
    30
  KPOINTS MONKHORST-PACK
   9 9 9
&END

&ATOMS
*Au_GO_PBE 
  LMAX=D LOC=P
     4
    0.0000    0.000    0.00
    0.5       0.5      0.0
    0.0       0.5      0.5
    0.5       0.0      0.5
&END

Best Wishes,
Zhenyu