Van der Waals density functional (DFT) library
libvdwxc is a library of density functionals, which can be linked by density functional theory (DFT) codes, to enable the calculation of exchange and correlation energies for van der Waals density functionals (vdW-DF). libvdwxc evaluates correlation energy and potential using a convolution in Fourier space using the method by Roman-Perez and Soler.
$
pkg install libvdwxcOrigin
science/libvdwxc
Size
3.24MiB
License
BSD3CLAUSE
Maintainer
yuri@FreeBSD.org
Dependencies
1 packages
Required by
1 packages