doped

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Reducing number of substitutions defects

2

Is there any way to reduce the number of substitutional defects @kavanase like interstitial?

msehabibur

Bumps the python-packages group with 1 update: [spglib](https://github.com/spglib/spglib). Updates `spglib` from 2.0.2 to 2.4.0 Release notes Sourced from spglib's releases. Spglib v2.4.0 What's Changed 🎉 New Features feat: Refactor CMake...

dependabot[bot]

remake dopedxpy-sc-fermi

39

- [x] rename bulk_vasprun, not clear that this needs to be for a high quality dos - [x] use _format_defect_name() in examples (is this still a private function? If it's...

alexsquires

Add support for dumbbell/split interstitials

4

Are there any plans to support split interstitial generation? Maybe this is already supported with some advanced configuration but it was not obvious to me from the defect generation tutorial.

seatonullberg

Different bandgap values from py-sc-fermi and doped

3

Hi, I am working on the defects in BaZrS3 and noticed that when I try to load the DOS object using py-sc-fermi and check the band gap, it comes different...

rushikd27