Hi All,
I have calculated anomalous Hall conductivity using Quantum Espresso and
Wannier90. Is it also possible to calculate the spin Hall conductivity
using Wannier90 interface?
If yes, can you please suggest some reference or the useful tags that I
should look at. I have searched the Wannier90
Hello all,
I am doing the calculation for making a slab of MnFe2O4 but the output file
is not opening in xcrysden after vc relax. It is giving the following error
as shown below. kindly help in getting the solution.
Your reply will be grateful.
Operating system : Linux
[p20170414@kosambi
It might be yet another case of "quasi-symmetric" system. What is the
expected symetry group of your material?
Paolo
On Mon, Sep 24, 2018 at 12:07 AM, Noé Mascello wrote:
> Dear Quantum Espresso community,
>
> I have a structure where the phonon calculation for a single irreducible
> q-point
Hi Paolo
It should be P4/ncc (#130). I checked it with FINDSYM from the ISOTROPY
suite.
Regards,
Noé
Am 25.09.2018 um 10:38 schrieb Paolo Giannozzi:
It might be yet another case of "quasi-symmetric" system. What is the
expected symetry group of your material?
Paolo
On Mon, Sep 24, 2018
Dear experts,
I am using wannier90 to calculate the transport properties. From the
tutorial, I found that the number of bands must be either equal to or more
than the number of wannier functions. In my problem, I can change the
number of wannier functions by changing the projection e.g,
Hi Priyanka,
If you provide your input/output file then it would be easy to figure out
the problem exactly. This time I can only guess based on my experience
using xcrysden. In each bfgs step you get lattice parameters and atomic
position written in the output of vc-relax, I think you are missing
