This release consists of the source files of vasp.6.3.0 and vdW-DF kernels.
It differs from the vasp.6.2.1 distro by the following changes/additions (amongst others):
◆ Machine learned force fields
Single-shot computation of bandstructure (KPOINTS_OPT)
◆ Improved support for the use of the libxc library of exchange-correlation functionals
◆ Performance improvements for the OpenACC port to GPUs
◆ Input from and output to HDF5 files
◆ Improved FFTW planning and caching of plans
◆ SCDM
◆ Support of GNU-10 and 11
◆ Support and optimizations for AMD Epyc Zen3
◆ Support and optimizations for NEC Aurora
◆ Optional use of ELPA as a replacement for certain scaLAPACK calls.
◆ Assorted performance optimizations and bugfixes