EPR

References: Weber2009

The g tensor is calculated by DFPT [Edit on GitHub]

Subsections

• INTERPOLATOR
• PRINT

Keywords

• SECTION_PARAMETERS

• RESTART_EPR

Keyword descriptions

SECTION_PARAMETERS: logical = F

Lone keyword: T

Usage: &EPR T

controls the activation of the epr calculation [Edit on GitHub]

RESTART_EPR: logical = F

Lone keyword: T

Usage: RESTART_EPR

Restart the EPR calculation from a previous run (NOT WORKING) [Edit on GitHub]