[Pw_forum] The occupation of orbitals.

[MISSAOUI Jamil]

Dear PW users,I'm trying to calculate the occupations of each orbitals in my system (to determine the corresponding electronic configuration). My question is: How can i use the output file of PDOS for a given atom and a given orbital, to integrate the  states for this orbital between two a given energies (adjacent to the Fermi level) in order to get the numbers of electrons or holes in this interval of energy.
Best Regard.
Jamil.
__________________________________

Jamil MISSAOUI,
PhD Student,

Faculty of Sciences of Tunis,
University of Manar,
Tunis, Tunisie.
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