<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:times new roman,new york,times,serif;font-size:12pt"><p class="MsoNormal" style="line-height: 150%;">Dear all,<br></p><p class="MsoNormal" style="line-height: 150%;"><br></p><p class="MsoNormal" style="line-height: 150%;">I have some questions
about the relation
between grid (<span style="font-size: 10pt; line-height: 150%;">nk1,
nk2, nk3) and (k1, k2, k3</span>) offset. I am wondering
if determination of offset depends on the grid or not? </p>
<p class="MsoNormal" style="line-height: 150%;">Also, when the grid is
even, is the offset certainly odd? </p>
For example,
I calculated energy for a system with <span class="yshortcuts" id="lw_1276423689_0"><span style="cursor: pointer; background: none repeat scroll 0% 0% transparent;" class="yshortcuts" id="lw_1276424222_0">two kinds</span></span> of k_points (2 2 5 0 0 0
and 2 2 5
1 1 1) and I observed<span> </span>different energy for each of them.<br>thanks for any help.<br><br>Mahkameh Vaziri<br> <meta http-equiv="Content-Type" content="text/html; charset=utf-8"><meta name="ProgId" content="Word.Document"><meta name="Generator" content="Microsoft Word 11"><meta name="Originator" content="Microsoft Word 11"><link rel="File-List" href="file:///C:%5CDOCUME%7E1%5Cadmin%5CLOCALS%7E1%5CTemp%5Cmsohtml1%5C01%5Cclip_filelist.xml"><!--[if gte mso 9]><xml>
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<![endif]--><i><span style="font-size: 10pt;">PhD student of physical chemistry</span></i><i><span style="font-size: 10pt;"><br>K. N. Toosi university of
Technology, Tehran, Iran<o:p></o:p></span></i>
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