<!DOCTYPE html PUBLIC "-//W3C//DTD XHTML 1.0 Transitional//EN" "http://www.w3.org/TR/xhtml1/DTD/xhtml1-transitional.dtd">
<html xmlns="http://www.w3.org/1999/xhtml">
<head>
<meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
<title></title>
</head>
<style type="text/css">
<!--
#send_mail {
font-family: "Courier New";
background:#FFFFFF;
color:#000000;
}
#send_mail a {
color:#999999
}
#send_mail a:hover {
color:#0000FF
}
#send_mail div {
color:#000000;
font-family: "Courier New";
font-size:14px;
line-height:150%;
}
#send_mail .usersign {
line-height:100%;
}
-->
</style>
<body id="send_mail">
<div>Dear M. Pazoki:
<BR>
Your results were so strange to me, who have done some calculation on graphene with the PBE-rrkjus PP. I guess there should be something wrong in your input file. In addition to Xirainbow's comments, I want to say that Ecut=(30,300) Ry is good enough for the optimization of graphitic lattices, (35,350) may be better for some other purposes and (40,400) is great!
<BR>
You'd better supply your input file, then people can tell why your results were strange.
<BR>
<BR>
Best Wishes!
<BR>
Yours Sincerely
<BR>
L. F. Huang
<BR>
<BR>
------
<BR>
======================================================================
<BR>
L.F.Huang(黄良锋) DFT and phonon physics
<BR>
======================================================================
<BR>
Add: Research Laboratory for Computational Materials Sciences,
<BR>
Instutue of Solid State Physics,the Chinese Academy of Sciences,
<BR>
P.O.Box 1129, Hefei 230031, P.R.China
<BR>
Tel: 86-551-5591464-326(office)
<BR>
Fax: 86-551-5591434
<BR>
Our group: <A href=http://theory.issp.ac.cn target=_blank>http://theory.issp.ac.cn</A>
<BR>
======================================================================
<BR>
</div>
</body>
</html>