tag:joss.theoj.org,2005:/papers/tagged/distortionsJournal of Open Source Software2022-12-01T10:12:36ZJournal of Open Source Softwarehttps://joss.theoj.orgtag:joss.theoj.org,2005:Paper/38272022-12-01T10:12:36Z2022-12-02T00:01:03ZShakeNBreak: Navigating the defect configurational landscapeacceptedv1.0.02022-08-22 16:04:43 UTC802022-12-01 10:12:36 UTC720224817IreaMosquera-LoisThomas Young Centre and Department of Chemistry, University College London, United Kingdom0000-0001-7651-0814SeánR.KavanaghThomas Young Centre and Department of Chemistry, University College London, United Kingdom, Thomas Young Centre and Department of Materials, Imperial College London, United Kingdom0000-0003-4577-9647AronWalshThomas Young Centre and Department of Materials, Imperial College London, United Kingdom0000-0001-5460-7033DavidO.ScanlonThomas Young Centre and Department of Chemistry, University College London, United Kingdom0000-0001-9174-860110.21105/joss.04817https://doi.org/10.5281/zenodo.7377173Python, Roffhttps://joss.theoj.org/papers/10.21105/joss.04817.pdfpoint defects, structure searching, symmetry breaking, distortions, semiconductors, ab initio