the 5d here doesnt mean the principle quantum no.=5<br><br><br><br><div class="gmail_quote">On Tue, Jun 15, 2010 at 11:20 AM, nand <span dir="ltr"><<a href="mailto:rana_nand@yahoo.com">rana_nand@yahoo.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"><div><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;">Hi All,<br>
When I calculate Mn pdos in a supercell(of 5 atom Mn1 As4) with 4 As atoms in GaAs structure it generates a file named prefix.pdos_#1(Mn)_wfc#<span style="font-weight: bold; color: rgb(255, 0, 0);">5d</span> when i am expecting wfc to be 3d. How ever it gets corrected automatically for a supercell of 17 atoms( Mn1As4Ga12). Plz tell if its a serious bug or i can assume it to be 3d and why we get this error.<br>
<br>Thanking in advance<br><br>Nand Kr Rana<br>Ranchi Univeristy<br>Inadia <br></div><br>
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<br></blockquote></div><br><br clear="all"><br>-- <br>Dr. Bipul Rakshit<br>Research Associate,<br>S N Bose Centre for Basic Sciences,<br>Salt Lake,<br>Kolkata 700 098<br>India<br>