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We extend the GFN-xTB method, popular to treat extended systems, by including SOC into the hamiltonian operator. We followed the same approach as previously reported for the density\u2013functional tight-binding method and provide and validate the necessary parameters for all elements throughout the Periodic Table. The parameters have been obtained consistently from atomic SOC calculations using the density\u2013functional theory. We tested them for reference structures where SOC is decisive, as in the transition metal containing heme moiety, chromophores in metal\u2013organic frameworks, and in superatoms. Our parameterization paves the path for incorporation of SOC in the GFN-xTB based electronic structure calculations of computationally expensive molecular systems.<\/jats:p>","DOI":"10.1063\/5.0129071","type":"journal-article","created":{"date-parts":[[2023,1,5]],"date-time":"2023-01-05T12:33:53Z","timestamp":1672922033000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":13,"title":["Spin\u2013orbit coupling corrections for the GFN-xTB method"],"prefix":"10.1063","volume":"158","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-8281-7230","authenticated-orcid":false,"given":"Gautam","family":"Jha","sequence":"first","affiliation":[{"name":"Helmholtz-Zentrum Dresden-Rossendorf, Institut f\u00fcr Ressourcen\u00f6kologie 1 , Bautzner Landstra\u00dfe 400, 01328 Dresden, Germany"},{"name":"TU Dresden, Fakult\u00e4t f\u00fcr Chemie und Lebensmittelchemie 2 , Bergstra\u00dfe 66c, 01062 Dresden, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2379-6251","authenticated-orcid":false,"given":"Thomas","family":"Heine","sequence":"additional","affiliation":[{"name":"Helmholtz-Zentrum Dresden-Rossendorf, Institut f\u00fcr Ressourcen\u00f6kologie 1 , Bautzner Landstra\u00dfe 400, 01328 Dresden, Germany"},{"name":"TU Dresden, Fakult\u00e4t f\u00fcr Chemie und Lebensmittelchemie 2 , Bergstra\u00dfe 66c, 01062 Dresden, Germany"},{"name":"Department of Chemistry, Yonsei University 3 , Seodaemun-gu, Seoul 120-749, Republic of Korea"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"317","published-online":{"date-parts":[[2023,1,27]]},"reference":[{"key":"2023081022463395600_c1","volume-title":"A Chemist's Guide to Density Functional Theory","year":"2001"},{"key":"2023081022463395600_c2","doi-asserted-by":"publisher","first-page":"897","DOI":"10.1103\/revmodphys.87.897","volume":"87","year":"2015","journal-title":"Rev. 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