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<DIV><FONT size=2 face=Verdana>Dear all,</FONT></DIV>
<DIV><FONT size=2 face=Verdana></FONT> </DIV>
<DIV><FONT size=2 face=Verdana>I am working on TiO2 with the QE-4.1.2. I am
a beginner to use QE. Recently I want to know the charge of the individual
atom in the system. Can I get the charge value like mulliken charge?
</FONT><FONT size=2 face=Verdana>If I can, How can i get the value?</FONT></DIV>
<DIV><FONT size=2 face=Verdana></FONT> </DIV>
<DIV><FONT size=2 face=Verdana>Any suggestion would be helpful.
Thanks!</FONT></DIV>
<DIV><FONT size=2 face=Verdana></FONT> </DIV>
<DIV><FONT size=2 face=Verdana>With regards</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2 face=Verdana>Weyl FANG<BR>Graduate student in Chemical
Engineering<BR>State Key Laboratory of Materials-oriented Chemical
Engineering<BR>College of Chemistry and Chemical Engineering<BR>Nanjing
University of Technology, 210009, Nanjing, Jiangsu, China<BR></FONT><FONT size=2
face=Verdana>Email: </FONT><A href="mailto:weylfang@gmail.com"><FONT size=2
face=Verdana>weylfang@gmail.com</FONT></A><FONT size=2 face=Verdana> <BR>Office:
Room A705, Technical Innovation Building, Xinmofan Road 5#, Nanjing, Jiangsu,
China </FONT></DIV>
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