New answers tagged periodic-system
4
votes
Accepted
Plane-wave basis expansion for periodic material modelling: cutoff energy inequality and number of atoms in the simulation
You’re quite right: as written, the equation is dimensionally inconsistent. There are actually a bunch of constants that make the units work out, but it is customary in matter modeling to define units ...
Top 50 recent answers are included
Related Tags
periodic-system × 25density-functional-theory × 9
crystallography × 4
periodic-boundary-conditions × 4
vasp × 3
software × 3
quantum-espresso × 3
2d-lattice × 3
molecular-dynamics × 2
band-structure × 2
electronic-structure × 2
molecular-modeling × 2
condensed-matter × 2
quantum-mechanics × 2
surfaces × 2
solid-state-physics × 2
atomic-simulation-environment × 2
plane-waves × 2
ab-initio-calculations × 1
software-recommendations × 1
python × 1
magnetism × 1
basis-sets × 1
symmetry × 1
berry-phase × 1