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__init__.py |
README
This directory, libxc, contains tests which exercise parts of the ABINIT package, related to the use of the libXC library. Please, see the README file in the tests directory (above this one) to get help. Tests 1 to 40 examine different exchange-correlation functionals from the ETSF exchange-correlation library, concerning XC energies and XC potentials. For the hybrid functionals, see tests 41 and beyond Tests 41 and beyond, to examine hybrid functionals (those that include a fraction of Fock exchange, possibly screened). Tests 81 to 99 examine different exchange-correlation functionals from the ETSF exchange-correlation library, concerning XC kernels (second derivatives of the energy), e.g. for response functions.