[Pw_forum] Fermi level shift

[Mohamad Moadeli]

Dear all,
I am trying to calculate the Fermi level shift of a combined system
(graphene sheet adsorbed on metals), so I set verbosity='high' in the input
file and subtracted the last two numbers (red and blue ones) according to
the nonzero occupation numbers at the special kpoint (corresponding to
capital k of pristine graphene). I wonder if I am on the right way.
Any suggestion will be appreciated.

k = 0.3333 0.0000 0.0000 ( 27620 PWs)   bands (ev):

   -19.3735 -18.7397 -18.7306 -16.8838 -16.8794 -14.3557 -14.3525 -13.2579
   -13.2482 -12.6293 -11.4997 -11.4955 -10.0191 -10.0120  -9.6217  -8.3955
    -7.7643  -7.7604  -7.3341  -6.6206  -6.6138  -4.6188  -4.6153  -1.9336
    -1.9291   0.5848   0.5899   2.9809   2.9861

     occupation numbers
     0.0222   0.0222   0.0222   0.0222   0.0222   0.0222   0.0222   0.0222
     0.0222   0.0222   0.0222   0.0222   0.0222   0.0222   0.0222   0.0222
     0.0222   0.0222   0.0222   0.0222   0.0222   0.0222   0.0222   0.0142
     0.0080   0.0000   0.0000   0.0000   0.0000

M. M
Shahid Chamran University of Ahvaz
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