PAO_DESCRIPTOR

Section can be repeated.

Settings of the PAO descriptor, which are atomic kind specific. [Edit on GitHub]

Keywords

• BETA

• SCREENING

• WEIGHT

Keyword descriptions

BETA

Type: real
Default: 1.00000000E+000

Description: Exponent of the Gaussian potential term. [Edit on GitHub]

Mentions: ⭐PAO-ML

SCREENING

Type: real
Default: 2.00000000E-001

Description: Exponent of the Gaussian screening. [Edit on GitHub]

Mentions: ⭐PAO-ML

WEIGHT

Type: real
Default: 1.00000000E+000

Description: Weight of Gaussian potential term. [Edit on GitHub]