This minor release comes with a relatively important fix for the self-consistent Hubbard parameters workflow. The dynamical assignement of pseudopotentials wrongly assigned pseudoes to some specific species combinations (e.g., H with Hg, C with Co, Cu). This is now fixed and tested in this version.
Moreover, two extra exit codes are added to cover some hp.x failures and when Hubbard parameters diverge in the linear response calculation.
👌 Improvements
- 👌 Parser: add exit codes for diverging Hubbard parameters [f475b58]
- 👌 Parser: add S matrix not positive definite exit code [c7614e8]
🐛 Bug fixes
- 🐛 Fix incorrect assignement of pseudos [38376ab]
Full Changelog: v0.4.0...v0.5.0