<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.0 Transitional//EN">
<HTML><HEAD>
<META http-equiv=Content-Type content="text/html; charset=gb2312">
<META content="MSHTML 6.00.2800.1106" name=GENERATOR></HEAD>
<BODY text=#000000 bgColor=#ffffff leftMargin=20 background=cid:__0@Foxmail.net
topMargin=20>
<P>Dear CPMD users:</P>
<P>I want to get the molecular orbital contours. But when I open the
cpmd2cube transferred .cube files, </P>
<P>I could find the molecular orbitals. So I want to know which keyword should I
add to my input files? </P>
<P>I wander if you can tell me an exmaple for this scheme. I will greatly
appreciate your kind help!</P>
<P>Sincerely yours,</P>
<P>Rongjian Sa</P></BODY></HTML>