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<div class="moz-cite-prefix">The orthogonalization is performed by
Lowdin method that preserves symmetry.<br>
<br>
<a class="moz-txt-link-freetext" href="http://www.wou.edu/~beavers/Talks/LowdinJointMeetings0107.pdf">http://www.wou.edu/~beavers/Talks/LowdinJointMeetings0107.pdf</a><br>
<br>
stefano<br>
<br>
On 23/03/2015 16:51, 庞瑞(PANG Rui) wrote:<br>
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<blockquote cite="mid:tencent_4DA8C14217F6F5193DEA2007@qq.com"
type="cite">
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<div>Dear all</div>
<div>In the description of projwfc.x, it is announced that
orthogonalized atomic wavefunctions were used in the PDOS
calculation, and each orbit is labeled with an angular number.
Does this mean these wavefunctions still have definite
angular numbers once they are linear combined from the atomic
orbits which are already eignvalues of angular operator? It
seems impossible if they are defined as (3.200) in the book of
"Modern quantum chemistry".Is there any misunderstanding of
me?</div>
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<h4 class="name" style="margin: 0px; line-height: 28px;
font-size: 14px; font-weight: bold; -ms-zoom: 1;">庞瑞
(PANG Rui)</h4>
<p class="department" style="margin: 0px; color:
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University of Science and Technology of
China/Department of Physics</p>
<p class="department" style="margin: 0px; color:
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Road, Shenzhen,Guangdong<br>
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