<html>
<head>
<meta content="text/html; charset=windows-1252"
http-equiv="Content-Type">
</head>
<body text="#000000" bgcolor="#FFFFFF">
<div class="moz-cite-prefix">On 10/02/2016 18:25, Ridwan Agbaoye
wrote:<br>
</div>
<blockquote
cite="mid:279416066.1798607.1455125106596.JavaMail.yahoo@mail.yahoo.com"
type="cite">Good day everybody
<div id="yMail_cursorElementTracker_0.9824161503929645"><br>
<div id="yMail_cursorElementTracker_0.15684143383987248">I want
to do some calculations on a crystal whose atomic coordinates
are given in fractional coordinates</div>
<div id="yMail_cursorElementTracker_0.15684143383987248"><br>
</div>
<div id="yMail_cursorElementTracker_0.15684143383987248">How do
I convert the fractional coordinates to quantum espresso unit
of atomic coordinates </div>
<div id="yMail_cursorElementTracker_0.15684143383987248"><br>
</div>
</div>
</blockquote>
you don't need to convert them<br>
<blockquote
cite="mid:279416066.1798607.1455125106596.JavaMail.yahoo@mail.yahoo.com"
type="cite">
<div id="yMail_cursorElementTracker_0.9824161503929645">
<div id="yMail_cursorElementTracker_0.15684143383987248">Which
flag do I need to use is it (crystal), (alat), (Bohr) or
(angstrom)</div>
<div id="yMail_cursorElementTracker_0.15684143383987248"><br>
</div>
</div>
</blockquote>
choosing the "crystal" option the coordinates are interpreted as
fractional coordinates<br>
<br>
stefano<br>
<br>
<blockquote
cite="mid:279416066.1798607.1455125106596.JavaMail.yahoo@mail.yahoo.com"
type="cite">
<div id="yMail_cursorElementTracker_0.9824161503929645">
<div id="yMail_cursorElementTracker_0.15684143383987248">I
appreciate everyone support towards answering questions to
educate pwscf users </div>
<div id="yMail_cursorElementTracker_0.15684143383987248"><br>
</div>
<div id="yMail_cursorElementTracker_0.15684143383987248">Agbaoye
Ridwan Olamide</div>
<div id="yMail_cursorElementTracker_0.15684143383987248">Federal
University of Agriculture, Abeokuta</div>
<div id="yMail_cursorElementTracker_0.15684143383987248">M.Sc.
(in view)</div>
</div>
<br>
<fieldset class="mimeAttachmentHeader"></fieldset>
<br>
<pre wrap="">_______________________________________________
Pw_forum mailing list
<a class="moz-txt-link-abbreviated" href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a>
<a class="moz-txt-link-freetext" href="http://pwscf.org/mailman/listinfo/pw_forum">http://pwscf.org/mailman/listinfo/pw_forum</a></pre>
</blockquote>
<br>
</body>
</html>