Sorry, in line 859 I saw plasm2 and totally overlooked the SQRT:
858: if(SPIN.and.(ASO.eq.'SO')) then
859: WRITE(6,618) (SQRT(plasm2(npcol(i))),i=1,LCOL)
So what I previously posted was nonsense. In looks like w_pl(up-spin)
is what is outputted in case.outputjointup for a spin-polarized spin
orbit calculation.
So, w_pl^2(dn-spin) = w_pl^2(up-spin). Plugging that into the SP
(without spin orbit) plasma frequency equation:
w_pl = sqrt( w_pl^2(up-spin) + w_pl^2(up-spin) )
w_pl = sqrt(2*w_pl^2(up-spin) )
w_pl = sqrt(2)*sqrt(w_pl^2(up-spin))
w_pl = sqrt(2)*w_pl(up-spin)
sqrt(2)*2.074 sqrt(2)*2.074 sqrt(2)*1.264
or case.inkram I think would need to be:
2.933 2.933 1.788
Note: Since sqrt(2) = 2/sqrt(2) [
http://mathforum.org/library/drmath/view/58248.html ], the above
equation could also be written as:
w_pl = 2*w_pl(up-spin)/sqrt(2)
On 10/27/2017 10:53 AM, Gavin Abo wrote:
Thanks.
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:
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16552.html
So, w_pl^2(dn-spin) = w_pl^2(up-spin). Plugging that into the SP
(without spin orbit) plasma frequency equation from your post below:
w_pl = sqrt( w_pl^2(up-spin) + w_pl^2(up-spin) )
w_pl = sqrt(2*w_pl^2(up-spin) )
w_pl = sqrt(2)*w_pl(up-spin) <= This showing why we need to get rid
of the sqrt(2) by dividing the sqrt(2)*w_pl(up-spin) by the sqrt(2) to
get the plasma frequency w_pl equal to w_pl(up-spin).
So one needs to calculate (w_pl^2(up-spin) + w_pl^2(up-spin))/sqrt(2)
[or (2*w_pl^2(up-spin))/sqrt(2)] to get the plasma frequency like in
the post at:
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16017.html
So the mistake I made was the missing multiplication by 2 in my
previous post:
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16615.html
2*2.074/sqrt(2) 2*2.074/sqrt(2) 2*1.264/sqrt(2)
or
2.933 2.933 1.788
Or do I still have something not quite right?
On 10/27/2017 12:44 AM, Fecher, Gerhard wrote:
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 [wien-boun...@zeus.theochem.tuwien.ac.at] im Auftrag von Gavin Abo
[gs...@crimson.ua.edu]
Gesendet: Sonntag, 22. Oktober 2017 00:42
An:wien@zeus.theochem.tuwien.ac.at
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
[https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg14495.html ].
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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