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Diffstat (limited to 'libraries/libvdwxc/README')
| -rw-r--r-- | libraries/libvdwxc/README | 9 |
1 files changed, 9 insertions, 0 deletions
diff --git a/libraries/libvdwxc/README b/libraries/libvdwxc/README new file mode 100644 index 0000000000..3d39987289 --- /dev/null +++ b/libraries/libvdwxc/README @@ -0,0 +1,9 @@ + libvdwxc is a general library for evaluating energy and potential +for exchange-correlation (XC) functionals from the vdW-DF family +that can be used with various of density functional theory (DFT) +codes. This work was inspired by success of libXC, a library for +local and semilocal XC functionals. At the moment, libvdwxc provides +access to the DF1, DF2, and CX functionals and interfaces for GPAW +and Octopus. The library has been tested with respect to the S22 +test set, various bulk properties of metals and semiconductors, +and surface energies. |