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<DIV><FONT face=Arial size=2>I need to change the occupation number of Ge
3d (subtract 0.5). How do I do this. As they are not in case.inc (not core
electrons)</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>
case.inc</FONT></DIV>
<DIV><FONT face=Arial size=2> 7 0.00 NUMBER OF
ORBITALS (EXCLUDING SPIN),
SHIFT<BR>1,-1,2
(
N,KAPPA,OCCUP)<BR>2,-1,2
( N,KAPPA,OCCUP)<BR>2,
1,2
(
N,KAPPA,OCCUP)<BR>2,-2,4
(
N,KAPPA,OCCUP)<BR>3,-1,2
( N,KAPPA,OCCUP)<BR>3,
1,2
(
N,KAPPA,OCCUP)<BR>3,-2,4
( N,KAPPA,OCCUP)</FONT></DIV>
<DIV><FONT face=Arial
size=2>----------------------------------------------------------------</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Thanks</DIV>
<DIV><BR>Michael Gurnett<BR>Dept. of Physics,<BR>Inst. of Engineering Sciences,
Physics and Mathematics,<BR>Karlstad University,<BR>S-651 88 Karlstad,
SWEDEN<BR>Tel. +46 54 700 2175, Fax. +46 54 700 1829,<BR>Mobile phone +46 70 590
6495<BR>E-mail: <A
href="mailto:michael.gurnett@kau.se">michael.gurnett@kau.se</A>, WWW: <A
href="http://www.ingvet.kau.se/fys/">http://www.ingvet.kau.se/fys/</A><BR>-----------------------------------------------------------------<BR></DIV></FONT></BODY></HTML>