SIRIUS 7.5.0
Electronic structure library and applications
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Files | |
file | dft_ground_state.cpp [code] |
Contains implementation of sirius::DFT_ground_state class. | |
file | dft_ground_state.hpp [code] |
Contains definition and partial implementation of sirius::DFT_ground_state class. | |
file | energy.cpp [code] |
Total energy terms. | |
file | energy.hpp [code] |
Total energy terms. | |
file | lattice_relaxation.hpp [code] |
Lattice relaxation implementation. | |
file | smearing.cpp [code] |
file | smearing.hpp [code] |
Smearing functions used in finding the band occupancies. | |