Dear WIEN2K users,
I am wondering if we can calculate plasma frequency by changing Fermi energy.
For instance, the effect of Fermi level on plasma frequency.
Thanks,
Jifeng
--
Jifeng Sun, Ph.D.
Postdoctoral Research Fellow
Department of Physics and Astronomy
University of Missouri-Columbia
Col
Dear WIEN2k users,
I want to make some corrections;
I was not calculating the optic properties correctly, I was using
x optic -up
x optic -dn
for the calculations with spin-orbit coupling
but when I use the correct options;
x optic -c -so -up
x optic -c -so -dn
I get the same '
Dear WIEN2k users,
I am trying to calculate the plasma frequency for a magnetic system.
I find that if the calculation is with spin-orbit then the 'up' and 'dn'
values are the same, so I tried the CrO2 system;
a=b=4.36A
c=2.897
angles=90
group: 136 (P 42/m n m)
This is a half meta
Dear users,
I am trying to calculate magneto-optic properties. I performed all the steps in
the corresponding calculations, but I encountered a problem when
running x kram. In fact, I modified the file. inkram adding plasma
frequencies calculated
by x joint (with option 6 and after it changed with
See:
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg09076.html
On 5/17/2014 6:37 AM, ivan paul wrote:
Dear users
where cuold we find the *Plasma* frequency of a material for an
optical calculation
and in what file.
thankX
___
Wie
Dear wien2k users
I m wendering if we have to performe a calculation with '-so' to obtain the
*Plasma* frequency "up and dn" or not
please help .
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Dear users
where cuold we find the *Plasma* frequency of a material for an optical
calculation
and in what file.
thankX
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SEARCH the MAILING-LIST a
I don't know what I was doing wrong, now I am getting correct results
De: wien-boun...@zeus.theochem.tuwien.ac.at
en nombre de delamora
Enviado: viernes, 02 de mayo de 2014 12:52 p.m.
Para: wien@zeus.theochem.tuwien.ac.at
Asunto: [Wien] Plasma frequenc
Dear WIEN-users,
I am trying to calculate the plasma frequency (in order to obtain the
electronic conductivity) for a magnetic system, so I put 'SO' and 'Hubbard U'
For a test system I calculated Ni, what I found is that I obtained the same
value for -up and for -dn values, is this cor
If you have a "metal", i.e. some bands cross EF, you should have a
finite (maybe small) plasma frequency (like in transparent conducting
oxides)
Am 13.07.2013 18:37, schrieb venkatesh chandragiri:
Dear sir,
*I thought your material has a gap, and the question was only direct or
indirect .. ?
Dear sir,
*I thought your material has a gap, and the question was only direct
or indirect
.. ??*
If i did the calculations using the structure stimulated from the space
group (225), it shows a negative indirect band gap in the band structure
(negative indirect band gap means, the valance band ma
I thought your material has a gap, and the question was only direct or
indirect .. ??
Of course, a supercell MUST not change the optical property. The
momentum matrix elements should take care that there is no transition
from Gamma - "backfolded-X" point.
Am 12.07.2013 22:25, schrieb venkate
Dear sir,
I have measured the optical properties of Fe2VAl material by creating a
primitive like lattice which contains 16 atoms. Being a semi-metal like
nature, Fe2VAl shows typical pseudo-gap like behaviour in DOS spectrum.
However, i have seen that a few orbitals are crossing each other at gam
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