6 lines
351 B
Plaintext
6 lines
351 B
Plaintext
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.
|