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<p><font face="Times New Roman">Sorry, in line 859 I saw plasm2 and
totally overlooked the SQRT:</font></p>
<p>858: ššššššššš if(SPIN.and.(ASO.eq.'SO')) then<br>
859:šššššššššššš WRITE(6,618) (SQRT(plasm2(npcol(i))),i=1,LCOL)<br>
</p>
So what I previously posted was nonsense.š In looks like
w_pl(up-spin) is what is outputted in case.outputjointup for a
spin-polarized spin orbit calculation.<br>
<br>
So, <font face="Times New Roman">w_pl^2(dn-spin) = </font><font
face="Times New Roman">w_pl^2(up-spin).š Plugging that into the SP
</font><font face="Times New Roman"><font face="Times New Roman">(without
spin orbit) </font>plasma frequency equation:<br>
<br>
w_pl = sqrt( w_pl^2(up-spin) + </font><font face="Times New
Roman"><font face="Times New Roman">w_pl^2(up-spin)</font> )</font><br>
<font face="Times New Roman"><font face="Times New Roman">w_pl =
sqrt(</font><font face="Times New Roman"><font face="Times New
Roman">2*w_pl^2(up-spin)</font> )</font></font><br>
<font face="Times New Roman"><font face="Times New Roman">w_pl =
sqrt(</font><font face="Times New Roman"><font face="Times New
Roman">2)*sqrt(w_pl^2(up-spin)</font>)</font></font><font
face="Times New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New
Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New
Roman"><font face="Times New Roman"><font
face="Times New Roman"><font
face="Times New Roman"><br>
</font></font></font></font></font></font></font></font></font></font></font></font></font></font></font></font>w_pl
= sqrt(2)*w_pl(up-spin)<br>
<br>
sqrt(2)*2.074 sqrt(2)*2.074 sqrt(2)*1.264<br>
<br>
or case.inkram I think would need to be:<br>
<br>
2.933 2.933 1.788<br>
<br>
Note: Since sqrt(2) = 2/sqrt(2) [
<a class="moz-txt-link-freetext" href="http://mathforum.org/library/drmath/view/58248.html">http://mathforum.org/library/drmath/view/58248.html</a> ], the above
equation could also be written as:<br>
<br>
<font face="Times New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New
Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New
Roman"><font face="Times New Roman"><font
face="Times New Roman"><font
face="Times New Roman">w_pl = <font
face="Times New Roman">2</font></font><font
face="Times New Roman"><font
face="Times New Roman">*w_pl(up-spin)</font>/sqrt(2)</font></font></font></font></font></font></font></font></font></font></font></font></font></font></font></font><br>
<br>
<div class="moz-cite-prefix">On 10/27/2017 10:53 AM, Gavin Abo
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:f609b5ff-fa0c-c502-d8c2-999c6226b2b2@crimson.ua.edu">
<meta http-equiv="Content-Type" content="text/html;
charset=koi8-r">
<p><font face="Times New Roman">Thanks.š <br>
</font></p>
<p><font face="Times New Roman">So if understand correctly, the
w_pl^2(up-spin) is what is outputted in case.outputjointup for
a spin-polarized spin orbit calculation by line 859 of joint.f
in the post:</font></p>
<p><a class="moz-txt-link-freetext"
href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16552.html"
moz-do-not-send="true">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16552.html</a><br>
</p>
So, <font face="Times New Roman">w_pl^2(dn-spin) = </font><font
face="Times New Roman">w_pl^2(up-spin).š Plugging that into the
SP </font><font face="Times New Roman"><font face="Times New
Roman">(without spin orbit) </font>plasma frequency equation
from your post below:<br>
<br>
w_pl = sqrt( w_pl^2(up-spin) + </font><font face="Times New
Roman"><font face="Times New Roman">w_pl^2(up-spin)</font> )</font><br>
<font face="Times New Roman"><font face="Times New Roman">w_pl =
sqrt(</font><font face="Times New Roman"><font face="Times New
Roman">2*w_pl^2(up-spin)</font> )</font></font><br>
<font face="Times New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New Roman">w_pl =
sqrt(2)*</font></font></font></font><font face="Times New
Roman"><font face="Times New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New Roman">w_pl(</font></font></font></font></font></font></font><font
face="Times New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New
Roman">up-spin</font></font></font>)š <=
This showing why we need to get rid of the sqrt(2)
by dividing the </font></font></font></font></font></font></font><font
face="Times New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New
Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times
New Roman"><font face="Times New Roman">sqrt(2)*w_pl(</font></font></font></font></font></font></font><font
face="Times New Roman"><font face="Times New
Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New
Roman"><font face="Times New Roman"><font
face="Times New Roman"><font
face="Times New Roman"><font
face="Times New Roman"><font
face="Times New Roman">up-spin</font></font></font>)
by the sqrt(2) to get the plasma
frequency w_pl equal to </font></font></font></font></font></font></font></font></font></font></font></font></font></font><font
face="Times New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New
Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times
New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font
face="Times New Roman"><font
face="Times New Roman"><font
face="Times New Roman"><font
face="Times New Roman"><font
face="Times New Roman"><font
face="Times New Roman">w_pl(</font></font></font></font></font></font></font><font
face="Times New Roman"><font
face="Times New Roman"><font
face="Times New Roman"><font
face="Times New Roman"><font
face="Times New Roman"><font
face="Times New Roman"><font
face="Times New Roman"><font
face="Times New Roman"><font
face="Times New
Roman"><font
face="Times New
Roman">up-spin</font></font></font>)</font></font></font></font></font></font></font>.<br>
<br>
So one needs to calculate (</font></font></font></font></font></font></font></font></font></font></font></font></font></font><font
face="Times New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New
Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times
New Roman"><font face="Times New Roman"><font
face="Times New Roman">w_pl^2(up-spin)
+ </font></font></font></font></font></font></font></font></font></font></font></font></font></font></font><font
face="Times New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New
Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times
New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font
face="Times New Roman">w_pl^2(up-spin)</font></font>)/sqrt(2)
[or (2*</font></font></font></font></font></font></font></font></font></font></font></font></font></font><font
face="Times New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New
Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times
New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font
face="Times New Roman"><font
face="Times New Roman"><font
face="Times New Roman"><font
face="Times New Roman"><font
face="Times New Roman"><font
face="Times New Roman"><font
face="Times New Roman"><font
face="Times New
Roman"><font
face="Times New
Roman"><font
face="Times New
Roman"><font
face="Times
New Roman"><font
face="Times
New Roman"><font
face="Times
New Roman"><font
face="Times
New Roman">w_pl^2(up-spin)</font></font></font></font></font></font></font></font></font></font></font></font></font></font></font>)/sqrt(2)]
to get the plasma frequency like in
the post at:<br>
<br>
<a class="moz-txt-link-freetext"
href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16017.html"
moz-do-not-send="true">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16017.html</a><br>
<br>
So the mistake I made was the missing
multiplication by 2 in my previous
post:<br>
<br>
<a class="moz-txt-link-freetext"
href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16615.html"
moz-do-not-send="true">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16615.html</a><br>
<br>
2*2.074/sqrt(2) </font></font></font></font></font></font></font></font></font></font></font></font></font></font><font
face="Times New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New
Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times
New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font
face="Times New Roman"><font
face="Times New Roman"><font
face="Times New Roman"><font
face="Times New Roman"><font
face="Times New Roman"><font
face="Times New Roman"><font
face="Times New Roman"><font
face="Times New
Roman"><font
face="Times New
Roman"><font
face="Times New
Roman"><font
face="Times
New Roman"><font
face="Times
New Roman"><font
face="Times
New Roman">2*2.074/sqrt(2)
</font></font></font></font></font></font></font></font></font></font></font></font></font></font></font></font></font></font></font></font></font></font></font></font></font></font></font></font><font
face="Times New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times New
Roman"><font face="Times New Roman"><font
face="Times New Roman"><font face="Times
New Roman"><font face="Times New Roman"><font
face="Times New Roman"><font
face="Times New Roman"><font
face="Times New Roman"><font
face="Times New Roman"><font
face="Times New Roman"><font
face="Times New Roman"><font
face="Times New Roman"><font
face="Times New Roman"><font
face="Times New
Roman"><font
face="Times New
Roman"><font
face="Times New
Roman"><font
face="Times
New Roman"><font
face="Times
New Roman"><font
face="Times
New Roman">2*1.264/sqrt(2)<br>
<br>
or<br>
<br>
2.933 2.933
1.788<br>
</font></font></font></font></font></font></font></font></font></font></font></font></font></font></font></font></font></font></font></font></font></font></font></font></font></font></font></font><br>
Or do I still have something not quite right?<br>
<br>
<div class="moz-cite-prefix">On 10/27/2017 12:44 AM, Fecher,
Gerhard wrote:<br>
</div>
<blockquote type="cite"
cite="mid:011dcc3f4f8b4f2781a9014e5e6ff639@uni-mainz.de">
<pre wrap="">The optics programm tells about the SP Plasma frequencies:
w_pl = sqrt( w_pl^2(up-spin) + w_pl^2(dn-spin) )
where does this come from
remember the classical approach where the plasma frequency is proportional to root(n) with n being the density of free electrons (number of electrons per Volume)
now what do you have in the SP case ? Shouldn't that be root/n_up+n_dn) ?
The programm however delivers w_up proportional to root(n_up) and w_dn prop to root(n_dn) and you see where the above equation is comming from
Finally show what happens when the two densities are equal n_up=n_dn and you see where the root(2) is coming from and when to use it
(Note that the root(2) is here not because of surface plasmons)
Ciao
Gerhard
DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
"I think the problem, to be quite honest with you,
is that you have never actually known what the question is."
====================================
Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
and
Max Planck Institute for Chemical Physics of Solids
01187 Dresden
________________________________________
Von: Wien [<a class="moz-txt-link-abbreviated" href="mailto:wien-bounces@zeus.theochem.tuwien.ac.at" moz-do-not-send="true">wien-bounces@zeus.theochem.tuwien.ac.at</a>] im Auftrag von Gavin Abo [<a class="moz-txt-link-abbreviated" href="mailto:gsabo@crimson.ua.edu" moz-do-not-send="true">gsabo@crimson.ua.edu</a>]
Gesendet: Sonntag, 22. Oktober 2017 00:42
An: <a class="moz-txt-link-abbreviated" href="mailto:wien@zeus.theochem.tuwien.ac.at" moz-do-not-send="true">wien@zeus.theochem.tuwien.ac.at</a>
Betreff: Re: [Wien] why we need to divide plasma frequency by root(2)?
I could be wrong, but I think you just need to take the sqrt(2) of each plasma frequency:
2.074/sqrt(2) 2.074/sqrt(2) 1.264/sqrt(2)
then put them in case.inkram (not case.injoint).
You should be able to use multiple plasma frequencies in case.inkram but don't forget to add a Gamma for drude value for each of the plasma frequencies [ <a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg14495.html" moz-do-not-send="true">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg14495.html</a> ].
On 10/21/2017 4:29 PM, Dr. K. C. Bhamu wrote:
---------------------case.injoint
xx
xx
1 >> correction
2.0740 2.0740 1.2640
xx
-----------------------------------
were xx means no change in lines of case.inkram.
At page numer 164 under section "8.11 KRAM (Kramers-Kronig transformation) in UG"
"For a metal, the Plasma-frequencies (intraband transitions) for up and dn should be added, but then divided by–2, before using x kram."
Does it mean that we need to add all three components and then divide by root(2) and put a single number [(2.074+2.074+1.264)/root(2)=3.88] instead of all three in case.injoint?
kind regards
Bhamu
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</pre>
</blockquote>
<br>
</blockquote>
<br>
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