<HTML dir=ltr><HEAD>
<META content="text/html; charset=unicode" http-equiv=Content-Type>
<META name=GENERATOR content="MSHTML 8.00.6001.18828"></HEAD>
<BODY>
<DIV><FONT color=#000000 size=2 face=Arial>Dear all</FONT></DIV>
<DIV><FONT size=2 face=Arial> has anyone calculated the C60 total energy? I used DMol (all electron) and PWscf (pseudopotential) to calculated the C60 total energy. I found DMol result is five times biger than PWscf result. Do I suppose to get the almost same data from the calculations of all electron and pseudopotential representation?</FONT></DIV>
<DIV><FONT size=2 face=Arial></FONT> </DIV>
<DIV><FONT size=2 face=Arial></FONT> </DIV>
<DIV><FONT size=2 face=Arial>Zhifan Chen</FONT></DIV>
<DIV><FONT size=2 face=Arial>Clark Atlanta University</FONT></DIV></BODY></HTML>