Parameters of GGA NN and code to use it in SCF calculations (simply put "hamiltonian" and "grid" folders to "src" folder of Octopus with replacement and compile). For calculations, you need to put files from the "weights" folder to the directory where Octopus runs.
Requirements: Octopus 8.4
Citation format:
Alexander Ryabov, Iskander Akhatov, Petr Zhilyaev et al. Application of two-component neural network for exchange-correlation functional interpolation, 27 May 2022, PREPRINT (Version 1) available at Research Square [https://doi.org/10.21203/rs.3.rs-1679863/v1]
Link to the article: https://doi.org/10.21203/rs.3.rs-1679863/v1