FilterPotentials

A - B - C - D - E - F - G - H - I - K - L - M - N - O - P - Q - R - S - T - U - V - W - X

FilterPotentials

Section Hamiltonian
Type integer
Default filter_ts

Octopus can filter the pseudopotentials so that they no longer contain Fourier components larger than the mesh itself. This is very useful to decrease the egg-box effect, and so should be used in all instances where atoms move (e.g. geometry optimization, molecular dynamics, and vibrational modes).

Options:


Source information

Featured in tutorials

Featured in testfiles