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Dear sir,<BR>
<BR>
How to get the electrical potential of each atom for the VBM correction of defect study?<BR>
Using the postprocess PP, we can only get the total potential 1D 2D or 3D by setting the "iflag". <BR>
<BR>
But <STRONG>I want the get the electrical potential of each atom after relaxing the supercell</STRONG>. Any advice will be appreciated. <BR>
<BR>
<BR>
Thanks a lot.<BR>
<BR>
regards<BR>
<BR>
Jianchun wu<BR>
Department of physics<BR>
Soochow university,China<BR>
215006<BR> <br /><hr />更多热辣资讯尽在新版MSN首页！ <a href='http://cn.msn.com/' target='_new'>立刻访问！</a></body>
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