<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.0 Transitional//EN">
<HTML><HEAD>
<META http-equiv=Content-Type content="text/html; charset=iso-8859-1">
<META content="MSHTML 6.00.2900.2604" name=GENERATOR>
<STYLE></STYLE>
</HEAD>
<BODY bgColor=#ffffff>
<DIV><FONT face=Arial size=2>I've been looking at the case.qtl file, and have a
couple of questions. Firstly, for a system of 35 atoms, why is there a 36 entry
which only seems to hold a a value to reach up to unity. Is this all it is meant
to do. Also I've been looking in to the idea of creating a script that will
remove all bands in the band plots that don't have significant contributions
from a given list of atoms, so that for example only bands that are due to the
upper most surface layer are shown by plot band structure. Would it be possible
to do this by simply setting all atoms not of interest to 0 in QTL before
running spaghetti. Would be nice to remove all bulk like bands.</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Thank you</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Mick</FONT></DIV>
<DIV><FONT face=Arial
size=2>----------------------------------------------------------------<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></FONT></DIV></BODY></HTML>