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As follows from the thread with Rafael Gonzalez
https://physik.lists.uzh.ch/sympa/arc/wannier-berri/2021-06/msg00008.html
When an even Monkhorst-Pack grid is used (which does not include Gamma po…
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Dear All,
this is a feature request - not an issue - which was first discussed in the mailing list: [https://lists.quantum-espresso.org/pipermail/wannier/2021-July/001920.html](url)
In summary:
…
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Dear all
I successfully followed the Nio tutorial (dft_tools) for the DMFT calculation.
I have some problem to do the calculation on my systeme which is a molecule.
first I did a DFT calculati…
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Hi,
I would like to project on the surface whose normal vector is [111] and calculate the HWC flow along either one direction of the plane as a function of k.
system = z2pack.tb.System(model)
…
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I am having this issue trying to compile wannier90 in parallel, not having the same problem when compiling in serial mode.
I am just using the default make.inc.gfort with:
```
COMMS = mpi
MPI…
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I'm on mac os 10.15.5 and have the dependencies installed via hombrew (openmpi, gcc 10.1 for gfortran, fftw3, hdf5, netcdf, libxc). However, the configure script finds something wrong with netcdf_fort…
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Dear Developers,
I wanted to know if we can use TB2J with a combination of VASP+Wannier90.
Thanks,
Alex
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Hi,
I'm from China, and I use https://pypi.tuna.tsinghua.edu.cn as the pypi mirror to duplicate a environment using the requirments file.
But I see the very slow speed here:
```
$ pip inst…
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Hi, regarding the new stresses functionality, isn't it possible to compute stresses using only irreducible k points - without `unfold_bz` - by symmetrizing the resulting stress tensor?
```julia
us…
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Dear Triqs devs,
I have successfully followed the tutorial you proposed for the DFT+DMFT calculation for the case of SrVO3.
I have a problem with my system which is a molecule that I do not use th…