Recent Changes - Search:

edit SideBar

Main /

NBASTOT

NBASTOT Number of symmetry-adapted orbitals in the basis. Because the SO basis may have functions deleted from it (i.e. spherical harmonic contaminants), the AO basis may be larger than the SO basis. See also NAOBASFN.

Data type: integer. Dimension: 1. Written by: xvmol2ja.

Edit - History - Print - Recent Changes - Search
Page last modified on June 10, 2011, at 05:02 AM
This page has been visited 229 times since April 2020.
CFOUR is partially supported by the U.S. National Science Foundation.