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