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Dear All,<BR><BR>
In order to align the potential between the defect supercell and perfect supercell.<BR>
<BR>
I want to know the potential of core electrons(core-level). <BR>
Could you tell me whether the PWSCF can provide the value of the potential of core electrons?<BR>
<BR>Who knows how to get the core level of each atom after the scf calculation?<BR> <BR>
Thanks in advance!<BR> <BR>Rgds<BR>Jianchun <BR>Department of physics<BR>Soochow university China.215006<BR> <br /><hr />使用新一代 Windows Live Messenger 轻松交流和共享！ <a href='http://www.windowslive.cn/messenger/' target='_new'>立刻下载！</a></body>
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