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Conquest v1.2 released (No replies)
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We are pleased to announce the release of v1.2 of the large scale DFT code Conquest. This release includes a number of new features listed below, along with bug fixes and code polishing, and updates to the manual.
Implementation of the modern theory of polarisation (using Resta’s formulation for large unit cells)
Implementation of atom-projected DOS (as a post-processing step)
Initial version of test suite (for continuous integration)
Initial version of ASE compatibility (to be merged into main ASE release soon)
The code is freely available under an MIT licence at https://github.com/OrderN/CONQUEST-release/ with the manual available on-line at https://conquest.readthedocs.io/. The release includes a complete set of pseudopotentials (the PseudoDojo set of norm-conserving potentials, for LDA, PBE and PBEsol) and a utility for generating basis sets of varying precision.
David Bowler, Tsuyoshi Miyazaki, Ayako Nakata, Lionel Truflandier