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### Summary of discussion with @utf and @scanlond based on user feedback.
- Users can get confusing/incorrect results when using kgen with a non-primitive _POSCAR_
- kgen warns that results may be i…
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Have Effmass interface with pymatgen. This should enable effmass to work with the various codes that pymatgen can parse (which doesn't include Castep, hence separate issue #24). I think this would fix…
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In DOS plots, we can select the specific atoms to project, so we can know the DOS contributions from dopants.
In bandstructure plots, can we do the same to the bands projection?
i.e. having a spag…
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Hi all,
Does orbital projection can be gotten by BandUp code when spin-orbital coupling(SOC) is turned on? I can get the orbital projection without SOC. However, when SOC is turned on, I didn't get t…
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Thank you for publishing the example files. I want to see the PROCAR file of the MgB2 by setting LORBIT=12 in VASP. Can you release it?
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First of all, thanks to Stepan and all collabs for developing this exciting BandUPpy code.
Excuse me if my question is a very basic one, but really i don't know what i'm missing to do in order to …
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## Feature Request Details
A document enlisting all standards, rules and conventions relating to coding strategies in terms of committing to git.
**Is your feature request related to a problem? …
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Dear Admin,
I am using irrep-1.9.1 with banduppy to unfold the band structure from VASP WAVECAR file. However, I am encountering a few issues:
1. The unfolding process is significantly slower co…
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Looking at your code, [here](https://github.com/band-unfolding/bandup/blob/master/src/qe_related_modules/read_qe_wavefunctions_mod.f90#L140) and [here](https://github.com/band-unfolding/bandup/blob/m…
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Hello,
i really enjoy using OpenSCAD for designing 3D printable solid models, however recently i became in need of designing parts from bended/folded sheet metal.
Eg.: i create some box from sheets l…