<html>
<head>
<meta content="text/html; charset=windows-1252"
http-equiv="Content-Type">
</head>
<body text="#000000" bgcolor="#FFFFFF">
<div class="moz-cite-prefix">it is explained in the projwfc.x input
documentation<br>
<br>
<a class="moz-txt-link-freetext" href="http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PROJWFC">http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PROJWFC</a><br>
<br>
stefano<br>
<br>
On 07/05/2016 21:37, ashkan shekaari wrote:<br>
</div>
<blockquote
cite="mid:CAGchC0vkP7CJe2ArRYa1Bq2-Uytq1eQBcZt1AgDFDubxZuK1sg@mail.gmail.com"
type="cite">
<div dir="ltr"><span style="font-size:12.8px">Dear experts,</span>
<div style="font-size:12.8px"><br>
</div>
<div style="font-size:12.8px">in quantum mechanics, the quantum
number <b>m</b> is between <b>-l </b>and<b> l </b>:
-l<=m<=l</div>
<div style="font-size:12.8px"><br>
</div>
<div style="font-size:12.8px">and so m=-1, 0, +1 for l=1. but in
the output of a pdos calculation, values of m </div>
<div style="font-size:12.8px"><br>
</div>
<div style="font-size:12.8px">are seen as follows:</div>
<div style="font-size:12.8px"><br>
</div>
<div style="font-size:12.8px">
<div> state # 9: atom 1 (Mo ), wfc 5 (l=2 m= 1)</div>
<div> state # 10: atom 1 (Mo ), wfc 5 (l=2 m= 2)</div>
<div> state # 11: atom 1 (Mo ), wfc 5 (l=2 m= 3)</div>
<div> state # 12: atom 1 (Mo ), wfc 5 (l=2 m= 4)</div>
<div> state # 13: atom 1 (Mo ), wfc 5 (l=2 m= 5)</div>
</div>
<div style="font-size:12.8px"><br>
</div>
<div style="font-size:12.8px">Is, for example, (l=2 , m= 1)
equivalent to m=-2 or </div>
<div style="font-size:12.8px"><br>
</div>
<div style="font-size:12.8px">
<div> (l=2 m= 1)------> m=-2</div>
<div> (l=2 m= 2)------> m=-1</div>
<div> (l=2 m= 3)------> m=0</div>
<div> (l=2 m= 4)------> m=1</div>
<div> (l=2 m= 5)------> m=2</div>
<div><br>
</div>
<div>?</div>
</div>
</div>
<div class="gmail_extra"><br clear="all">
<div>
<div class="gmail_signature">
<div dir="ltr">
<div>
<div dir="ltr">
<div dir="ltr">
<div dir="ltr">
<div dir="ltr">
<div dir="ltr">
<div dir="ltr">
<div dir="ltr">
<div dir="ltr">
<div><b>--</b></div>
<div><i>All the best,</i></div>
<div><i>Ashkan Shekaari</i></div>
<div><i>Plasma Physics Research Center, <span
style="font-size:12.8px">Science
and Research Branch, </span></i></div>
<div><i>I A U, <span
style="font-size:12.8px">14778-93855
Tehran, Iran.</span></i></div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
<br>
<div class="gmail_quote">On Sun, May 8, 2016 at 12:06 AM, ashkan
shekaari <span dir="ltr"><<a moz-do-not-send="true"
href="mailto:shekaari@gmail.com" target="_blank">shekaari@gmail.com</a>></span>
wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0
.8ex;border-left:1px #ccc solid;padding-left:1ex">
<div dir="ltr">Dear experts,
<div><br>
</div>
<div>in quantum mechanics, the quantum number <b>m</b> is
between <b>-l </b>and<b> l </b>: -l<=m<=l</div>
<div><br>
</div>
<div>and so m=-1, 0, +1. but in the output of a pdos
calculation, values of m </div>
<div><br>
</div>
<div>are seen as follows:</div>
<div><br>
</div>
<div>
<div> state # 9: atom 1 (Mo ), wfc 5 (l=2 m= 1)</div>
<div> state # 10: atom 1 (Mo ), wfc 5 (l=2 m= 2)</div>
<div> state # 11: atom 1 (Mo ), wfc 5 (l=2 m= 3)</div>
<div> state # 12: atom 1 (Mo ), wfc 5 (l=2 m= 4)</div>
<div> state # 13: atom 1 (Mo ), wfc 5 (l=2 m= 5)</div>
</div>
<div><br>
</div>
<div>Is, for example, (l=2 , m= 1) equivalent to m=-2 or </div>
<div><br>
</div>
<div>
<div> (l=2 m= 1)------> m=-2</div>
<div> (l=2 m= 2)------> m=-1</div>
<div> (l=2 m= 3)------> m=0</div>
<div> (l=2 m= 4)------> m=1</div>
<div> (l=2 m= 5)------> m=2</div>
<div><br>
</div>
<div>?</div>
<div><br>
</div>
<div>
<div>
<div dir="ltr">
<div>
<div dir="ltr">
<div dir="ltr">
<div dir="ltr">
<div dir="ltr">
<div dir="ltr">
<div dir="ltr">
<div dir="ltr">
<div dir="ltr">
<div><b>--</b></div>
<div><i>All the best,</i></div>
<div><i>Ashkan Shekaari</i></div>
<div><i>Plasma Physics Research
Center, <span
style="font-size:12.8px">Science
and Research Branch, </span></i></div>
<div><i>I A U, <span
style="font-size:12.8px">14778-93855
Tehran, Iran.</span></i></div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</blockquote>
</div>
<br>
</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>