manual   quickstart   instguide   update   basis

Next: 43.7 Specifying a guess Up: 43 THE VB PROGRAM Previous: 43.5 Recovering CASSCF CI   Contents   Index   PDF

43.6 Saving the VB wavefunction


vb: record name for VB wavefunction (default is first available record after 3200.2), i.e., orbitals and structure coefficients.

civb: record name for valence bond full CI vector defined in terms of the CASSCF MOs (default is 3300.2). Saving this vector is necessary for the calculation of further properties, geometry optimization, etc.

It is normally advisable to use records on file 2 for vb and civb. 2018-04-19