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

Type: logical
Default: F
Lone keyword: T
Usage: &EPR T

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

RESTART_EPR

Type: logical
Default: F
Lone keyword: T
Usage: RESTART_EPR

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