Dear Federico
Thanks for your detailed response. I would look meet prof. Seymour
Cahangirov. I actually, have recently joined Bilkent, so do no know many
people yet.
On 09/17/2016 04:41 PM, Federico Iori wrote:
Hi.
In my opinion, I think the approach you chose depends strictly from
the qu
Dear All,
the 18th International Workshop on Computational Physics and Materials
Science: Total Energy and Force Methods will be held at ICTP, Trieste,
Italy (12-14 January 2017).
Following the tradition of the previous meetings, it will be devoted to
recent advances in computational condensed ma
Thanks Stefano! One mini-comment - it's www.wannier.org .
nicola
On 16/09/2016 08:25, stefano de gironcoli wrote:
> dear Kapildeb Dolui,
>
>wannier90.x is a separate software that is interfaced with QE, among
> other codes.
>check www.wannier90.org for more inf
Hi.
In my opinion, I think the approach you chose depends strictly from the
question you want to answer and after that from the the size (number electrons,
Number plane wave thou) you have.
Do you need a full excitonic optical spectrum ? or just a RPA spectrum is
sufficient for your study?
Dear users
I have a system consisting of 94 atoms (periodic with cell lengths of
16.5, 8.5 and 8.7). I want to calculate its absorption spectrum. Can
anyone guide me which technique would be easy to run. Actually, we have
16 core machine and we can run a job for a maximum of 15 days only.
Base
I am trying to extract two-dimensional energy contour data (kx, ky, E) for
2D materials. For this, in the 'bands' calculation file, I am setting the 3
coordinates of the rectangle in terms of tpiba_c (in units of 2pi/a)*. *
And then using plot_2d in the bands.in file, I obtain the nicely tabulated
