Keywords are generally arranged in alphabetical order, with the following exceptions:
Basis set keywords are not present; see the section on basis sets for information about available basis sets and their associated keywords. Note, however, that the ChkBasis, ExtraBasis, Gen, and Pseudo keywords are discussed in their own sections.
All DFT-related keywords are collected under the heading DFT Methods.
Link 0 commands are placed after all alphabetic keywords (i.e., following the discussion of ZIndo), forming the penultimate section.
Keywords related to specifying alternate routes—ExtraLinks, ExtraOverlays, NonStd, Skip, and Use—are discussed in the Specifying Nonstandard Routes section. Related information is also presented in the discussion of the testrt utility.
Within the discussion of a specific keyword, options are listed in order of importance and frequency of use, rather than in strictly alphabetical order. Large options lists are often subdivided into groups with similar functions.
Last updated on: 9 Jun 2009