| REAGENT or RESOURCE | SOURCE | IDENTIFIER |
|---|---|---|
| Software and algorithms | ||
| Quantum-ESPRESSO | Giannozzi et al.,20 | www.quantum-espresso.org/ |
| Wannier90 | Mostofi et al.,30 | www.wannier.org/ |
| CASTEP | Clark et al.,31 | https://www.castep.org/ |
| LOBSTER | Maintz et al.,25 | http://www.cohp.de/ |
| Electron-Phonon Wannier | Poncé et al.,29 | https://epw-code.org/ |
| FERMISURFER | Kawamura,47 | http://fermisurfer.osdn.jp/ |
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