Dmol3 – localized numerical basis set (license held by
CASTEP – plane-wave pseudopotential code (license held by Henrik) (http://www.castep.org/)
VASP – plane-wave
pseudopotential or PAW (license held by Henrik) (http://www.vasp.at)
CPMD - plane-wave pseudopotential code for ab initio MD (http://www.cpmd.org)
GPAW – real space
implementation of the PAW method (https://wiki.fysik.dtu.dk/gpaw/index.html)
Quantum Espresso - plane-wave pseudopotential or PAW (http://www.quantum-espresso.org)
Published: Thu 18 Feb 2021.
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