Seán Kavanagh

Results 13 issues of Seán Kavanagh

This PR implements the `PROCAR` parsing functionality from [`easyunfold`](https://smtg-bham.github.io/easyunfold/) discussed in #3722; namely the ability to parse `PROCAR`s from spin-orbit coupling (SOC) VASP calculations (i.e. with `LSORBIT = True`), and...

`FermiDos.get_doping` performs an integral over the density of states with the Fermi Dirac occupations to determine the carrier concentrations. However, it starts the conduction band integral (`cb_integral`) from `self.idx_cbm` and...

### Email (Optional) _No response_ ### Version v2023.9.9 ### Which OS(es) are you using? - [X] MacOS - [ ] Windows - [ ] Linux ### What happened? Firstly, thanks...

bug