MECI

More detailed information about the CI calculation, such as the energies of the CI-active MOs and their AO coefficients, will be written to the AMPAC output file.

MECI=n.nnnn

For each microstate whose maximum CI coefficient for the final CI eigenstates is greater than the value n.nnnn, its contributions to all of the final CI eigenstates is written to the AMPAC output file. The default value is 0.1.

See Chapter 11, Configuration Interaction for a more complete discussion of AMPAC’s CI capability.

Abbreviation:

none

Requires:

none

Default value:

0.1