Dear Iurii,
Thank you very much for your prompt response.
The provided paper is very useful. I have gone through the paper and the
absorption graph of "Photon energy (eV) vs Absorption", but the study I am
doing will require "Wavelength (nm) vs Absorption". I want your thoughts
on, if I can
It depends on the level of theory implemented in the codes you want to compare
with. SB
> On 29 Apr 2022, at 14:09, Vivek Christhunathan wrote:
>
> Dear Stefano Baroni,
>
> I apologise for not conveying the message clearly. To convert energy (eV) to
> wavelength (nm), I used the formula (nm
I am very sorry to seem even ruder than I am, but it does not take any
sophisticated code to convert an energy to a wavelength. A pocket calculator
(or even paper and pencil) would do. This is explained in every elementary
textbook in quantum mechanics that every user of every sophisticated
Dear Stefano Baroni,
I apologise for not conveying the message clearly. To convert energy (eV)
to wavelength (nm), I used the formula (nm = hc/eV), and I even made graphs
like "Wavelength vs Absorption". My main concern is that if I use this
approach (eels.x), will I be able to compare my results
For D3Q code users,
In the D3Q code, is there a way to calculate thermal conductivity with hole
doping or with vacancies?
Thanks,
Ken
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