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19 lines
1.2 KiB
Text
19 lines
1.2 KiB
Text
# HOW TO EDIT THIS FILE:
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# The "handy ruler" below makes it easier to edit a package description.
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# Line up the first '|' above the ':' following the base package name, and
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# the '|' on the right side marks the last column you can put a character in.
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# You must make exactly 11 lines for the formatting to be correct. It's also
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# customary to leave one space after the ':' except on otherwise blank lines.
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|-----handy-ruler------------------------------------------------------|
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libvdwxc: libvdwxc (A library for vdW-DF exchange-correlation functionals)
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libvdwxc:
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libvdwxc: libvdwxc is a general library for evaluating energy and potential
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libvdwxc: for exchange-correlation (XC) functionals from the vdW-DF family
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libvdwxc: that can be used with various of density functional theory (DFT)
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libvdwxc: codes. This work was inspired by success of libXC, a library for
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libvdwxc: local and semilocal XC functionals. At the moment, libvdwxc provides
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libvdwxc: access to the DF1, DF2, and CX functionals and interfaces for GPAW
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libvdwxc: and Octopus. The library has been tested with respect to the S22
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libvdwxc: test set, various bulk properties of metals and semiconductors,
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libvdwxc: and surface energies.
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