[Pw_forum] Fermi energy

[Sakhrawi Taoufek]

Dear all
I do a calculation of the density of states of non-magnetic FeRh, looking in the file. ** scf.out I found:
######################################################
     the Fermi energy is    14.7785 ev

!    total energy              =     -99.87320782 Ry
     Harris-Foulkes estimate   =     -99.87320783 Ry
     estimated scf accuracy    <       0.00000001 Ry

     The total energy is the sum of the following terms:

     one-electron contribution =      18.88928336 Ry
     hartree contribution      =      10.34598244 Ry
     xc contribution           =     -34.00253239 Ry
     ewald contribution        =     -95.10594122 Ry
     smearing contrib. (-TS)   =       0.00000000 Ry

     total magnetization       =    -0.00 Bohr mag/cell
     absolute magnetization    =     0.00 Bohr mag/cell

######################################################
what different to that found in representative density (see attachment file)


thinks

-------------------------------------------------
Sakhraoui Taoufik
Ph.D student 
Faculty of Sciences of Monastir
Department of Physics
L.M.C.N
Monastir, Tunisia
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