.. _`apdx:scf_psivar`:


SCF
===

Performs self consistent field (Hartree-Fock and Density Functional Theory) computations. These are the starting points for most computations, so this code is called in most cases.

.. hlist::
   :columns: 1

   * :psivar:`CURRENT ENERGY <CURRENTENERGY>`

   * :psivar:`CURRENT REFERENCE ENERGY <CURRENTREFERENCEENERGY>`

   * :psivar:`DFT FUNCTIONAL TOTAL ENERGY <DFTFUNCTIONALTOTALENERGY>`

   * :psivar:`DFT TOTAL ENERGY <DFTTOTALENERGY>`

   * :psivar:`DFT XC ENERGY <DFTXCENERGY>`

   * :psivar:`DISPERSION CORRECTION ENERGY <DISPERSIONCORRECTIONENERGY>`

   * :psivar:`DOUBLE-HYBRID CORRECTION ENERGY <DOUBLE-HYBRIDCORRECTIONENERGY>`

   * :psivar:`EFP IND ENERGY <EFPINDENERGY>`

   * :psivar:`EFP TOTAL ENERGY <EFPTOTALENERGY>`

   * :psivar:`HF TOTAL ENERGY <HFTOTALENERGY>`

   * :psivar:`NUCLEAR REPULSION ENERGY <NUCLEARREPULSIONENERGY>`

   * :psivar:`ONE-ELECTRON ENERGY <ONE-ELECTRONENERGY>`

   * :psivar:`PCM POLARIZATION ENERGY <PCMPOLARIZATIONENERGY>`

   * :psivar:`SCF DIPOLE X <SCFDIPOLEX>`

   * :psivar:`SCF DIPOLE Y <SCFDIPOLEY>`

   * :psivar:`SCF DIPOLE Z <SCFDIPOLEZ>`

   * :psivar:`SCF ITERATION ENERGY <SCFITERATIONENERGY>`

   * :psivar:`SCF QUADRUPOLE XX <SCFQUADRUPOLEXX>`

   * :psivar:`SCF QUADRUPOLE XY <SCFQUADRUPOLEXY>`

   * :psivar:`SCF QUADRUPOLE XZ <SCFQUADRUPOLEXZ>`

   * :psivar:`SCF QUADRUPOLE YY <SCFQUADRUPOLEYY>`

   * :psivar:`SCF QUADRUPOLE YZ <SCFQUADRUPOLEYZ>`

   * :psivar:`SCF QUADRUPOLE ZZ <SCFQUADRUPOLEZZ>`

   * :psivar:`SCF STABILITY EIGENVALUES <SCFSTABILITYEIGENVALUES>` (array)

   * :psivar:`SCF TOTAL ENERGY <SCFTOTALENERGY>`

   * :psivar:`TWO-ELECTRON ENERGY <TWO-ELECTRONENERGY>`