There seems to be one aspect missing in the answers so far: the effect of
disorder. The width of the Drude peak is basically inversely proportional
to carrier lifetime and this, in turn, depends on how close is the system
in question to a perfect crystal.
While the typical values 0.1 eV (for
Thank you very much for all these details
Le sam. 16 janv. 2021 à 19:24, Gavin Abo a écrit :
> On slide 19 of
>
>
> http://susi.theochem.tuwien.ac.at/events/ws2017/notes/Laskowski_optic-xas.pdf
>
> it has "broadening for Drude terms choose gamma for each case".
>
> The above statement may be
On slide 19 of
http://susi.theochem.tuwien.ac.at/events/ws2017/notes/Laskowski_optic-xas.pdf
it has "broadening for Drude terms choose gamma for each case".
The above statement may be advising to do an extensive literature survey
for the specific structure under calculation.
Slide 20 has
Please read the instructions of the exercises (optics of Al) of our last
workshop at www.wien2k.at.
Am 16.01.2021 um 02:26 schrieb karima Physique:
Dear WIEN2k users,
for intraband contribution, where can I find the value of Gamma for
Drude term
Dear Karima,
there's no good short answer. First of all, it's an approximation that a
single parameter (Gamma) rather than k-dependent relaxation time can be
used. In principle, you can calculate such Gamma by ab initio methods but
in practice, you either fit it to optical spectra or estimate
Dear WIEN2k users,
for intraband contribution, where can I find the value of Gamma for Drude
term
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I am now doing optical properties calculation for semimetals. I have a
few question related to the energy shift in case.inkram file. If I
don't do energy shift, I can't get a reasonable results compared to
experiments. That brings me into two questions.
First, what is energy shift here?
It
Dear WIEN2k user,
I am now doing optical properties calculation for semimetals. I have a few
question related to the energy shift in case.inkram file. If I don't do energy
shift, I can't get a reasonable results compared to experiments. That brings me
into two questions.
First, what is
Dear users
I have a quistion about inkram fille ; should i put one value in the 4
th line or two in a SP case.
--- top of file: case.inkram ---
0.0gamma for Lorentz broadening (in units selected in joint)
0.0energy shift (scissors
Dear users
I have a quistion about inkram fille ; should i put one value in the 4 th
line or two in a SP case.
--- top of file: case.inkram ---
0.0gamma for Lorentz broadening (in units selected in joint)
0.0energy shift (scissors operator)
You must first use x addjoint-updn and only after use x kram.
Look at the user guide for more details about addjoint-updn.
Cheers
Xavier
Le 26/05/2014 17:00, ivan paul a écrit :
Dear users
I have a quistion about inkram fille ; should i put one value in the 4
th line or two in a SP case.
See also
http://www.wien2k.at/reg_user/textbooks/WIEN2k_lecture-notes_2013/optic_handout.pdf
slide 9, for instance
Cheers
Xavier
Le 26/05/2014 17:00, ivan paul a écrit :
Dear users
I have a quistion about inkram fille ; should i put one value in the 4
th line or two in a SP case.
Dear Xavier
Dear users
You must first use x addjoint-updn and only after use x kram.
its done and got a .joint fille
Look at the user guide for more details about addjoint-updn.
ok .
but i have 2 valus of plasma Frq one in up and one in dn should i put
it all to gether in this 4 th line
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