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When I want to plot the projected band structure using `BSPlotterProjected`, I find it not work if the `dictio` has d orbitals.
It gives the error :
```
C:\ProgramData\Anaconda3\lib\site-package…
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I'm trying to produce the documentation for the latest version of `hubbard` package and I it looks like the methods and classes information doesn't appear in the documentation.
I get the following wa…
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I had some thoughts on some potential minor improvements to the package to make it even more user-friendly, but worth discussing as I'm not sure if some/all of them are worth it:
- [x] Pulling the …
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I am trying to study the massless Dirac equation in a 2D square lattice. The model is defined as
```
lat2D = lattice(
sublat((0, 0), name = :A),
bravais = ((1, 0), (0, 1))
)
σ = (
…
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## System
* Pymatgen version: 4.6.2
* Python version: 3.5.3
* OS version: MacOS Sierra 10.12.6
## Summary
When using MPRester('API_key').get_bandstructure_by_material_id('mpid') to get BandSt…
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I have installed `pymatgen` v. 2022.9.21 on my Linux system and I have the MP API key. However, when I tried to use the MPRester to get data from the Materials Project, it provides several 'AttributeE…
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Hi Xiao,
Hope you are good.
I want to plot and visualize the spread of maximally localized wannier functions (though I can see the latter in the output file).
If you don't mind sharing what workflo…
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I was wondering if there is a possibility to obtain the high-symmetrical points when they are located in an edge of the FBZ, but due to loss of symmetry (during optimization) these ones are not shown …
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_Very_ cool project! I'm definitely going to try this out sometime.
In the README, it says
> Symmetry is disabled (isym=0) to avoid spurious error due to wavefunction symmetry mismatch between the…
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Hi @pietrodelugas,
Using: ase-3.21.1 , qe-7.1
I'm running through the tutorial script you sent across.
I've adapted it slightly to use profiles. The scf runs as expected:
```
from ase imp…