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Releases: rubel75/BerryPI

June 7, 2022

07 Jun 12:48
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This snapshot captures the last stable version before introducing major changes (Wannier charge centers).

Dec 09, 2020

09 Dec 18:18
89b29e7
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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

07 Sep 01:49
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This is a snapshot before introducing python 3.X compatibility.
Installation and configuration is greatly simplified (see documentation)

July 13, 2020

13 Jul 16:44
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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

17 Feb 14:59
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  • fix bug in calculation of the ion charge
  • fix compatibility issues with numpy 1.9.2

Parallel support

17 Mar 15:36
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Add parallel support (-p option)
Compatible with WIEN2WANNIER integrated in Wien2k v14.2

Beta version

12 Mar 18:04
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Compatible with the new WIEN2WANNIER v1.0-beta (not v0.XX)
No parallel support

Most recent stable version

02 Jan 23:07
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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

02 Jan 22:26
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v1.0

Fixed typo