Releases: rubel75/BerryPI
June 7, 2022
This snapshot captures the last stable version before introducing major changes (Wannier charge centers).
Dec 09, 2020
This snapshot captures the last stable version before introducing a new feature: calculation of electronic polarization with non-collinear lattice vectors in real and reciprocal space.
Sep 5, 2020
This is a snapshot before introducing python 3.X compatibility.
Installation and configuration is greatly simplified (see documentation)
July 13, 2020
This is a snapshot before introducing a new feature (calculation of a Weyl point chirality), which will be the next major change in the code.
Improvements and bug fixes
- fix bug in calculation of the ion charge
- fix compatibility issues with numpy 1.9.2
Parallel support
Add parallel support (-p option)
Compatible with WIEN2WANNIER integrated in Wien2k v14.2
Beta version
Compatible with the new WIEN2WANNIER v1.0-beta (not v0.XX)
No parallel support
Most recent stable version
Compatibility:
- wien2k v13.1
- wien2wannier v0.97 (not v1.0-beta)
New additions:
- spin polarization
- spin-orbit coupling
- orbital potential
(see 'berrypi -h' for the new options)
First stable version
v1.0 Fixed typo