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<DIV><FONT face=Arial size=2>Dear Prof Blaha</FONT></DIV>
<DIV><FONT face=Arial size=2>As I understand the orbital occupation numbers are
obtained from the integrated DOS (up to Fermi level) in the file
case.outputt.</FONT></DIV>
<DIV><FONT face=Arial size=2>I have the following questions,
please:</FONT></DIV>
<DIV><FONT face=Arial size=2>1. Is there any other file that contain information
about the orbital occupation numbers?</FONT></DIV>
<DIV><FONT face=Arial size=2>2. How accurate are the numbers listed in
case.outputt? </FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV>The numbers in case.outputt appear to be far too less than expected for
atomic occupation. Are the electrons in the interstitial regions excluded?</DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Thanks</FONT></DIV>
<DIV></FONT><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial
size=2>Elzain</FONT></DIV></DIV></FONT></DIV></BODY></HTML>