Dialog Box: Mean Square Amplitude Determination [Control window]
This option is primarily for use in EXAFS calculation. It will list the mean-square changes in bond distances to a specified atom (Input atom number from the list of Input Atoms. Use the number in the list, not the atomic number), out to the specified Maximum distance, and a given Temperature in Kelvin. Screen out zero and dubious frequencies with the Minimum frequency value.
Results will be in a separate text window. Atoms are listed by symmetry-equivalent groups, with contributions from each mode.