RESCALE_FORCES

Section controlling the rescaling of forces. Useful when starting from quite bad geometries with unphysically large forces. [Edit on GitHub]

Keywords

• MAX_FORCE

Keyword descriptions

MAX_FORCE: real = 4.21648784E-002 [bohr^-1*hartree]

Specify the Maximum Values of the force. If the force of one atom exceed this value it’s rescaled to the MAX_FORCE value. [Edit on GitHub]