MP2

Parameters influencing MP2 (non-RI). [Edit on GitHub]

Keywords

Keyword descriptions

SECTION_PARAMETERS: logical = F

Lone keyword: T

Usage: &MP2 .TRUE.

Activates MP2 calculations. [Edit on GitHub]

BIG_SEND: logical = T

Lone keyword: T

Usage: BIG_SEND

Influencing the direct canonical MP2 method: Send big messages between processes (useful for >48 processors). [Edit on GitHub]

METHOD: enum = DIRECT_CANONICAL

Usage: METHOD MP2_GPW

Valid values:

  • NONE Skip MP2 calculation.

  • DIRECT_CANONICAL Use the direct mp2 canonical approach.

  • MP2_GPW Use the GPW approach to MP2.

References: DelBen2012, DelBen2013

Method that is used to compute the MP2 energy. [Edit on GitHub]