* Phonon bandstructure plotting and analysis. (Guido Petretto) * New capabilities for performing adsorption on slabs. (Joey Montoya) * Remove pathlib dependency.
4.6.0
Not secure
* Improve support for alternative settings in SpaceGroup. * Fix respect for user_incar_settings in MPNonSCFSet and MPSOCSet * Support for argcomplete in pmg script. * Speed ups to Ewald summation. * Add functionality to parse frequency dependent dielectric function. * Improvements to Bolztrap support.
4.5.7
Not secure
* PMG settings are now prefixed with PMG\_ to ensure proper namespacing. * Improve error output in command line bader caller. * Add Py3.6 classifier. * Misc bug fixes.
4.5.6
Not secure
* Minor bug fix. * Fixed elastic energy density
4.5.5
Not secure
* Fix bad reading of pmgrc. * Gaussian opt section added allowing for torsion constraints * Update spglib.
4.5.4
Not secure
* BSDOSPlotter (Anubhav Jain) * Fixes to defect analysis (Bharat) * intrans as an input to BoltztrapAnalyzer. Allows for scissor operation. * Pmg is now continuously tested on win-64/py35 using Appveyor!