VIS=MIN

Description

The .vis file contains a great deal of data for various graphics purposes. These files can be quite large and cumbersome in some cases, particularly for very large molecules and multi-step jobs (reaction path, reaction grid, simulated annealing, CHN methods, IRC, and PATH). Using the VIS=MIN keyword, will exclude from the .vis those data elements that can become very large while retaining everything else. In particular, the molecular orbitals and density will be excluded as well as the vibrational frequency and ENPART data. Consequently AGUI will not be able to display surfaces or vibrational frequencies for that file but all other data will be available as usual.

While the full range of molecular orbitals will not be saved when VIS=MIN is present, a small subset of orbitals surrouding the HOMO-LUMO gap will be stored. Usually 5 orbitals on each side of the gap will be saved. AGUI will be able to display surfaces for these specific orbitals even though they will not be able to show the rest of the orbitals.

See also:

NOVIS.