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<DIV>You may either provide the group more information sending the structure files of your case before and after adding the impurity or try (yourself) to plot the band character to see where (in which energy range, in which direction, in which angular character, i.e S, P, D, ...) the Si bands are made to check if it (the impurity) could at all change the band gap in the direction(s) you have selected or not.<BR></DIV>
<DIV>Your,</DIV>
<DIV>Saeid Jalali.</DIV>
<DIV><BR><B><I>mkhsabra@aec.org.sy</I></B> wrote: </DIV>
<BLOCKQUOTE class=replbq style="PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: #1010ff 2px solid"><BR><BR>Dear Wien users;<BR><BR>I have done a supper cell of InP. I have changed one of the P atoms with Si.<BR>I expect to find a new band in the band gap, but I did not. So how can I <BR>calculate the Si band.<BR><BR>Please help<BR><BR>Thank you All<BR><BR>Sabra<BR><BR><BR><BR>-------------------------------------------------<BR>This mail sent through AECS mail server.<BR><BR>_______________________________________________<BR>Wien mailing list<BR>Wien@zeus.theochem.tuwien.ac.at<BR>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien<BR></BLOCKQUOTE></DIV></DIV></DIV><p>
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