# ANALYSIS

References: Khaliullin2007, Khaliullin2008

Controls electronic structure analysis based on ALMOs and XALMOs. [Edit on GitHub]

Subsections

- PRINT

## Keywords

- SECTION_PARAMETERS

- FROZEN_MO_ENERGY_TERM

## Keyword descriptions

SECTION_PARAMETERS: logical = F

  Lone keyword: `T`

  Usage: &ANALYSIS T

  Activation of ALMO-based electronic structure analysis. [Edit on GitHub]

FROZEN_MO_ENERGY_TERM: enum = SKIP

  Usage: FROZEN_MO_ENERGY_TERM SUBLATTICE

  Valid values:

  - `SKIP` Do not compute the frozen MO energy term.

  - `SUBLATTICE` Use energies of single molecules in their positions in the crystal cell as the reference. This term does not have an interpretation if fragmetns are charged.

  Perform calculations on single molecules to compute the frozen density term [Edit on GitHub]