REFERENCE

Section to specify a reference method for PP optimization. [Edit on GitHub]

Subsections

• POTENTIAL

Keywords

• CORE

• METHOD

Keyword descriptions

CORE: string[ ]

Usage: CORE 1s2 … or CORE [Ne] or CORE none for 0 electron cores

Specifies the core electrons for a pseudopotential [Edit on GitHub]

METHOD: string[ ] = AE

Usage: METHOD PP

METHOD to be used as reference: [AE|PP] [Edit on GitHub]