ATOMIC

References: Kikuchi2009

Controls the calculation of atomic properties. Printing is controlled by FORCE_EVAL / PRINT / PROGRAM_RUN_INFO [Edit on GitHub]

Keywords

• ENERGY

• PRESSURE

Keyword descriptions

ENERGY: logical = F

Lone keyword: T

Usage: ENERGY {logical}

Calculate atomic energies [Edit on GitHub]

PRESSURE: logical = F

Lone keyword: T

Usage: PRESSURE {logical}

Calculate atomic pressure tensors [Edit on GitHub]