SIRIUS 7.5.0
Electronic structure library and applications
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Files | |
file | check_xc_potential.cpp [code] |
Check XC potential by doing numerical functional derivative. | |
file | generate_d_operator_matrix.cpp [code] |
file | generate_pw_coeffs.cpp [code] |
file | paw_potential.cpp [code] |
file | poisson.cpp [code] |
file | potential.cpp [code] |
Generate effective potential. | |
file | potential.hpp [code] |
Contains declaration and partial implementation of sirius::Potential class. | |
file | xc.cpp [code] |
Generate XC potential. | |
file | xc_functional.hpp [code] |
Contains implementation of sirius::XC_functional class. | |
file | xc_functional_base.hpp [code] |
file | xc_mt.cpp [code] |
Generate XC potential in the muffin-tins. | |