REFERENCE

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

Subsections

• POTENTIAL

Keywords

• CORE

• METHOD

Keyword descriptions

CORE

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

Description: Specifies the core electrons for a pseudopotential

[Edit on GitHub]

METHOD

Type: string[ ]
Default: AE
Usage: METHOD PP

Description: METHOD to be used as reference: [AE|PP]

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