<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.0 Transitional//EN">
<HTML><HEAD>
<META content="text/html; charset=gb2312" http-equiv=Content-Type>
<META name=GENERATOR content="MSHTML 8.00.6001.18702">
<STYLE>BLOCKQUOTE {
MARGIN-TOP: 0px; MARGIN-BOTTOM: 0px; MARGIN-LEFT: 2em
}
OL {
MARGIN-TOP: 0px; MARGIN-BOTTOM: 0px
}
UL {
MARGIN-TOP: 0px; MARGIN-BOTTOM: 0px
}
</STYLE>
</HEAD>
<BODY style="FONT-FAMILY: verdana; FONT-SIZE: 10pt">
<DIV><FONT size=2 face=Verdana>Dear QE Users,</FONT></DIV>
<DIV> </DIV>
<DIV>As a beginner of QE, I get problem in understanding some
keywords in PW.x, it will be very kind of
you to give me a more</DIV>
<DIV> </DIV>
<DIV>detailed explanation:</DIV>
<DIV> </DIV>
<DIV>nbnd: acturally I do not know how to use this parameter , sometimes, a
lot of levels appear in the valence bands, but only several in the
conduction band. </DIV>
<DIV> so I want to know how
can I accurately set the parameter, then can obtain the energy levels
properly.</DIV>
<DIV> </DIV>
<DIV>nosym: if it is true, that means the symmetry in the structure will be
ignored?</DIV>
<DIV> </DIV>
<DIV> </DIV>
<DIV> </DIV>
<DIV>nraise: how can we define one "nraise" step, it is the same as
one time step if we set nraise=1;</DIV>
<DIV> </DIV>
<DIV>many thanks for you help.</DIV>
<DIV> </DIV>
<DIV> </DIV>
<DIV align=left><FONT color=#c0c0c0 size=2 face=Verdana>2010-09-30
</FONT></DIV><FONT size=2 face=Verdana>
<HR style="WIDTH: 122px; HEIGHT: 2px" align=left SIZE=2>
<DIV><FONT color=#c0c0c0 size=2 face=Verdana><SPAN>archygu,NTU</SPAN>
</FONT></DIV></FONT></BODY></HTML>