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Hi,
I am trying to plot bands for a multi-orbital tb model from wannier90 output. I am following the methods used to construct a band for square lattice given in the tutorial. But I can't reproduce t…
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I have some problems when I using the ABACUS interface to Wannier90 calculations.
When I repeated the wannier example calculation provided by ABACUS, I tried to use the LCAO calculation to docking …
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I am trying to read a standard wannier90_hr.dat (Wannier90 (v3.1.0)) using:
system=wberri.System_tb('wannier90_hr.dat')
It seems it only supports tb.dat file, is wannier90_hr.dat supported in the …
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Dear Phoebe Team,
I successfully performed the calculations of step 1 (scf calculation) of tutorial-2 in phoebe (silicon). While I encountered a issue for the step-2 of phonon calculations. The pr…
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Hi! We are using Brillouin.jl in our code [DFTK.jl](https://github.com/JuliaMolSim/DFTK.jl) and since this morning update we are encountering `Illegal instruction` signals. I can't really manage to re…
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### Your Name
Kamal Choudhary
### Your Email
kamal.choudhary@nist.gov
### Website for notebook
https://github.com/JARVIS-Materials-Design/jarvis-tools-notebooks
### Description
**JARVIS-Tools-n…
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hello developers, I want to use the vaspspn.py to get the wannier90.spn file from WAVECAR. But when I execute the program，I find some errors. Maybe this code "from wanierberri.__utility import Fortra…
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Heya @sponce24, could you release a v0.2.0 to PyPI?
I need a "non-prerelease" version, for use with https://github.com/aiidateam/aiida-common-workflows
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The parsing of vector-valued parameters is not robust.
https://github.com/jimustafa/wannier90-pylib-io/blob/6b2458a355b1ecc926d03fb8f2758a3ede0ab580/src/w90io/_core.py#L42-L46
In fact, id does …
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### Steps to reproduce the issue
I'm tying to install q-e-sirius with ROCm on AMD GPU R9 fury (gfx803)
I have done following step:
```
spack install gcc
spack install sirius +rocm amdgpu_targe…