<html>
<head>
<style><!--
.hmmessage P
{
margin:0px;
padding:0px
}
body.hmmessage
{
font-size: 12pt;
font-family:Calibri
}
--></style></head>
<body class='hmmessage'><div dir='ltr'>Dear All,<br>I am new in Wien2k and XCrysDen. Sorry for my ignoramus question.<br><br>I try to generate own klist file for wien bandstruct calculation. <span id="result_box" class="short_text" lang="en"><span class="hps">My actions:<br>1. Opening *.struct file<br>2. Go to Tool -> K pas selection<br>3. Add my points with help of mouse.<br>4. Save as *.kpf file (I can't find Wien2k klist format in save dialog). This </span></span><span id="result_box" class="short_text" lang="en"><span class="hps"><span id="result_box" class="short_text" lang="en"><span class="hps">*.kpf </span></span></span></span><span id="result_box" class="short_text" lang="en"><span class="hps"><span id="result_box" class="short_text" lang="en"><span class="hps"><span id="result_box" class="short_text" lang="en"><span class="hps">is not</span> <span class="hps">appropriate for Wien2k.<br></span></span></span></span>5. Then I try to open </span></span><span id="result_box" class="short_text" lang="en"><span class="hps"><span id="result_box" class="short_text" lang="en"><span class="hps">*.kpf by </span></span></span></span><span id="result_box" class="short_text" lang="en"><span class="hps"><span id="result_box" class="short_text" lang="en"><span class="hps">File-->Open WIEN2k ..-->Select
k-path, as written in http://www.xcrysden.org/doc/kpath.html. And here I fail... XCrysDen </span></span></span></span><br><span id="result_box" class="short_text" lang="en"><span class="hps"><span id="result_box" class="short_text" lang="en"><span class="hps"><span id="result_box" class="short_text" lang="en"><span class="hps">does not see</span> <span class="hps">the this file</span></span>...<br><br>What I do wrong? May be instruction is old?<br></span></span><br>Hope some of you will help me :)<br><br> - Gregory<br></span></span> </div></body>
</html>