10 lines
558 B
Plaintext
10 lines
558 B
Plaintext
libvdwxc is a general library for evaluating energy and potential
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for exchange-correlation (XC) functionals from the vdW-DF family
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that can be used with various of density functional theory (DFT)
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codes. This work was inspired by success of libXC, a library for
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local and semilocal XC functionals. At the moment, libvdwxc provides
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access to the DF1, DF2, and CX functionals and interfaces for GPAW
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and Octopus. The library has been tested with respect to the S22
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test set, various bulk properties of metals and semiconductors,
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and surface energies.
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