TMA RIGID BODY ANALYSIS

Rigid Body TLS Analysis (Shomaker & Trueblood).

Several calculations are done in this section:

• TLS-analysis

• Bond distance correction based on TLS analysis

• Hirshfeld Rigid Bond Test

where:

the Rmax parameter is optional (Default 25%) and determining whether a detailed analysis is done.

the optional HINCL sub-keyword will force Anisotropic H-Atoms included in the analysis.

Example: CALC TMA 40 5 HINCL

GEOMETRY CALCULATION TOOLS

PLATON HOMEPAGE