[Pw_forum] About: the system is metallic, specify occupations?

[Rahmat Gunawan]

Dear PW_Forum...

I have tried some examples to know how graphite system can learned in
PWscf. I read some article in journals: J.Phys.Chem. B., 2006, 110, 14832
and J.Chem.Phys., 118(3), 1003. I have problem about input, now I consult
to PW_Forum my interaction bond input of "graphite---H"

&CONTROL
                 calculation = 'scf' ,
                restart_mode = 'from_scratch' ,
                      outdir = '/home/s3/s305igun/tmp/' ,
                  pseudo_dir = '/home/s3/s305igun/pseudo/' ,
                      prefix = 'C' ,
                     tstress = .true. ,
                     tprnfor = .true. ,
 /
 &SYSTEM
                       ibrav = 4,
                   celldm(1) = 4.64117,
                   celldm(3) = 2.7264,
                         nat = 5,
                        ntyp = 2,
                     ecutwfc = 25.0 ,
                     ecutrho = 100.0 ,
 /
 &ELECTRONS
 /
ATOMIC_SPECIES
    H    1.00794  H.vbc.UPF
    C   12.01100  C.pz-vbc.UPF
ATOMIC_POSITIONS crystal
    H      0.000000000    0.000000000    3.250000000
    C      0.000000000    0.000000000    0.000000000
    C      0.333333333    0.666666666    0.000000000
    C      0.000000000    0.000000000    0.500000000
K_POINTS
  10
   0.1250000  0.1250000  0.1250000   1.00
   0.1250000  0.1250000  0.3750000   3.00
   0.1250000  0.1250000  0.6250000   3.00
   0.1250000  0.1250000  0.8750000   3.00
   0.1250000  0.3750000  0.3750000   3.00
   0.1250000  0.3750000  0.6250000   6.00
   0.1250000  0.3750000  0.8750000   6.00
   0.1250000  0.6250000  0.6250000   3.00
   0.3750000  0.3750000  0.3750000   1.00
   0.3750000  0.3750000  0.6250000   3.00

I need your help, is it true input? because at output file write: "the
system is metallic, specify occupations?" I do not understand about this
statements.

Thanks very much, succes for your research

Sincerely yours.

Rahmat gunawan