- 44% HF exchange. MN15-L, a
local functional with 0% HF exchange. *
Using LibXC. A.J. Cohen, P. Mori-Sánchez and W. Yang (2012). "Challenges for Density...
- generalized-gradient approximations,
Hybrid functionals, and
partial support for the
libXC library are implemented. It is also
possible to make use of a DFT+U description...
- intra-node parallelization.
Other libraries used are Lapack, ScaLAPACK, FFTW,
libxc and spglib. RMG runs on laptops, desktops, workstations,
clusters or supercomputers...
- release) optional: netcdf, fftw, mpi (for
parallel execution), etsf-io,
libxc, hdf5
Hardware requirements depend very much on the
physical system under...
