Dear All,
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!
Rgds
Jianchun
Department of physics
Soochow university China.215006
_________________________________________________________________
MSN????????????????25???????????2010?????????
http://kaba.msn.com.cn/?k=1
-------------- next part --------------
An HTML attachment was scrubbed...
URL:
http://www.democritos.it/pipermail/pw_forum/attachments/20100428/f9a82c12/attachment.htm
