[Pw_forum] the potential of core electron
jcwu.suda at hotmail.com
Wed Apr 28 03:29:25 CEST 2010
In order to align the potential between the defect supercell and perfect supercell.
I want to know the potential of core electrons(core-level).
Could you tell me whether the PWSCF can provide the value of the potential of core electrons?
Who knows how to get the core level of each atom after the scf calculation?
Thanks in advance!
Department of physics
Soochow university China.215006
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