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