<!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 Giuseppe Mattioli
<BR>
Thank you very much for your kind replay . When I relax the structure, the calculation process stops here iteration # 4 ecut= 30.00 Ry beta=0.70
<BR>
Davidson diagonalization with overlap. And I google it and have found this <A href=http://www.democritos.it/pipermail/pw_forum/2003-June/000374.html. target=_blank>http://www.democritos.it/pipermail/pw_forum/2003-June/000374.html.</A>
<BR>
I can not fully understand it, so it appears to me that there in a problem in my calculation.</div>
</body>
</html>