<html>
<head>
<meta http-equiv="Content-Type" content="text/html; charset=GB2312"></head>
<body>
<!--SOHUMAIL_HTML_HEAD_END-->Dear wien user<p> In userguide it said that" You should define NMATMAX, i.e. the maximum matrixsize (number of basisfunctions).<p>This value should be adjusted according to the memory of your hardware. Rough estimates<p>are:<p>NMATMAX= 5000 ==> 256MB (real) or 500MB (complex, without inversion symmetry)<p>NMATMAX=10000 ==> 1GB (real) (==> cells with about 80-150 atoms/unitcell) If you<p>choose it too large, lapw1 will start to “page” leading to inacceptable performance or a crash"<p> 1.I wonder that "256MB ,500MB or 1GB" above mean what. Is the size limit of generated file or computer's memory volume.If I want to caculate a unitcell of 200 atoms what shou ld I do ,.? <p> 2. If I increase the number of NUME when I caclulate a large unitcell or I<p>caclate a atoms with more electrons? <hr size=1><style type="text/css">
<!--
a {font-size:12px;color:black}
a:hover {font-size:12px;text-decoration:underline}
.b{font-family:Arial; font-size:80%; margin-bottom:2px;color:#0000CC}
.pp{font-family:Arial;font-size:10px}
-->
</style>
<table border=0>
<tr><td height=18><a href="http://adc.go.sohu.com/200612/ffbe224b20655415eea53a2b1e99f3ff.php" target="_blank"><font color=red>新年大礼：网上4折起购嘉实基金！</font></a>
<!--http://goto.mail.sohu.com/goto.php3?code=mailadt-ta1-->
</td></tr>
<br>
<tr><td height=18><a href="http://goto.mail.sohu.com/goto.php3?code=mailadt-ta" target="_blank">*用搜狗拼音写邮件，体验更流畅的中文输入>></a>
</td></tr>
</table>
<!--SOHUMAIL_HTML_TAIL_END--></body>
</html>