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On 09/12/2010 08:11 PM, B. Koa wrote:
<blockquote
cite="mid:AANLkTim=-Ds_ahVK4DADUerkQR5an1Q=i3AiQj=Tfs60@mail.gmail.com"
type="cite">Dear PWScf Users<br>
<br>
It seems that "dosup" and "pdosup" which are in the pdos_tot file must
be equal and really they are equal in many cases. But in some cases
they differ a very bit with each other. I think that the origin of this
very small difference is only the numerical procedure and not any
physical one. Am I correct ?<br>
</blockquote>
<br>
I don't think your statement is correct. DOS (density of states) and
PDOS (projected DOS) are not the same quantity (otherwise why should
one give them distinct names?). Please spend some time in searching
their respective definitions (on textbooks, in the forum archives, or
even looking at the code itself).<br>
<br>
<br>
Regards,<br>
<br>
GS<br>
<br>
<blockquote
cite="mid:AANLkTim=-Ds_ahVK4DADUerkQR5an1Q=i3AiQj=Tfs60@mail.gmail.com"
type="cite"><br>
Many Thanks<br>
B. Koa<br>
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</blockquote>
<br>
<br>
<pre class="moz-signature" cols="72">--
Gabriele Sclauzero, EPFL SB ITP CSEA
PH H2 462, Station 3, CH-1015 Lausanne
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