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


= Localmo =
Molecule orbital localization module.

<<TableOfContents(4)>>

{{{
LocalMO is used to localize molecular orbital. Boys localization and trust region localization approaches are supported.
}}}


== General keywords ==
=== Boys ===
{{{#!wiki
Boys localization approach. This is default localization functional.
}}}

=== Mboys ===
{{{#!wiki
Modified Boys localization approach. Next line is an integral to set powern. For example:

Mboys
 2
}}}

=== 4CENT ===
{{{#!wiki
Four-center momentlocalization approach. Next line is an integral to set powern. For example:

4CENT
 1.0
}}}

=== PEPIK ===
{{{#!wiki
Pepik-Mezey localization approach. 
}}}


=== Thresh ===
{{{#!wiki
Two float point number to give threshold of localization. For example:

Thresh
 1.d-8 1.d-8
}}}

=== Rohfloc ===
{{{#!wiki
Localize ROHF/ROKS orbitals
}}}

=== mcscfloc ===
{{{#!wiki
Localize MCSCF orbitals
}}}

=== Orbital ===
{{{#!wiki
 next line inputs 'hforb' for SCF localization or 'mcorb' for MCSCF localization. Default does not input this keyword.
}}}


=== Maxcycle ===
{{{#!wiki
Maximum number of iterations allowed for Boys localization.
}}}

== Expert keywords ==
=== Keyword3 ===
{{{#!wiki
xxx
}}}
=== Keyword4 ===
{{{#!wiki
xxx
}}}

= Depend Files =

|| Filename || Description || Format ||
||          ||             ||        ||

= Examples =

= Insert latex =
You can insert latex formula as 
{{{#!latex
  \begin{equation}
    \rho_{\mu}=\sum_i w_i*\chi_{\mu}(r_i)\chi_{\mu}(r_i)
  \end{equation}
}}}

You can also insert a latex formular inline
    The basis is <<latex($\chi_{\mu}$)>>