##master-page:HelpTemplate
##master-date:Unknown-Date
#format wiki
#language en
#Please change following line to BDF module name

= MCSCF =
<<TableOfContents(4)>>

{{{
Multi-configurational self consistent field program.
}}}
== General keywords ==
=== Inactive ===
{{{#!wiki
  Number of inactive orbitals in each irreps.
}}}
Example:


=== Active ===
{{{#!wiki
  Number of active orbitals in each irreps.
}}}
Example:

=== actel ===
{{{#!wiki
  Number of active electrons in active space.
}}}
Example:

=== Symmetry ===
{{{#!wiki
  Irreps of target state.
}}}
Example:

=== Spin ===
{{{#!wiki
  Spin multiplicity. 2S+1
}}}
Example:

=== Nroots ===
{{{#!wiki
Three lines should be provided.
Line 1: Two integrals. The first is number of averaged states and the second number of states calculated in CI.
Line 2: which states should be averaged
Line 3: weight of states in state-average calcualtion
}}}
Example:
{{
Nroots
3  4   # 3 states will be averged, 4 states will be calculated
1 2 3  # States 1 2 3 will be averged
1 1 1   # equal weight for each state
}}