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<p class=MsoNormal align=left style='text-align:left'><font size=2
face="Times New Roman"><span lang=EN-US style='font-size:10.5pt'>I could find “:CHA
: TOTAL CHARGE INSIDE UNIT CELL” in SCF file. But the total is not equal
to the real total valence charges. <o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left'><font size=2 face=Arial><span
lang=EN-US style='font-size:10.5pt;font-family:Arial'>How can I find the other
part charge states? <o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left'><font size=2 color=navy
face="Times New Roman"><span lang=EN-US style='font-size:10.5pt;color:navy'><o:p> </o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left'><font size=1 color=navy
face=Arial><span lang=EN-US style='font-size:9.0pt;font-family:Arial;
color:navy'><o:p> </o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left'><font size=1 color=navy
face=Arial><span lang=EN-US style='font-size:9.0pt;font-family:Arial;
color:navy'><o:p> </o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left'><font size=1 color=navy
face=Arial><span lang=EN-US style='font-size:9.0pt;font-family:Arial;
color:navy'><o:p> </o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left'><font size=1 color=navy
face=Arial><span lang=EN-US style='font-size:9.0pt;font-family:Arial;
color:navy'><o:p> </o:p></span></font></p>
<p class=MsoNormal><font size=1 face=Arial><span lang=EN-US style='font-size:
9.0pt;font-family:Arial'>Dear users:<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=1 face=Arial><span lang=EN-US style='font-size:
9.0pt;font-family:Arial'> I want to get the states of
all valence charge after SCF. While I only can find states of partial charge in
muffin tin from SCF file. I can’t find the state of the charge outside
the muffin tin.<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=1 face=Arial><span lang=EN-US style='font-size:
9.0pt;font-family:Arial'> Could you tell me how to find
all charges’ state?<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=1 face=Arial><span lang=EN-US style='font-size:
9.0pt;font-family:Arial'><o:p> </o:p></span></font></p>
<p class=MsoNormal><font size=1 face=Arial><span lang=EN-US style='font-size:
9.0pt;font-family:Arial'><o:p> </o:p></span></font></p>
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