FormCheck Keyword
Last Update: 12/31/2000

The FormCheck keyword requests that a formatted version of the checkpoint file be written at the end of a successful run. This is useful for users who wish to interface the output of the program to various front-ends. Currently, the formatted checkpoint file always has the name Test.FChk (note the mixed case), and it is placed into the default directory from which the job is run.

This keyword cannot store transition densities or natural orbitals in the formatted checkpoint file.

FChk and FCheck are synonyms for FormCheck.

All
Write everything to the formatted checkpoint file.

ForceInt
Write forces in internal coordinates.

ForceCart
Write forces in Cartesian coordinates.

EField
Write the electric field properties (in Cartesian coordinates).

OptInt
Write the intermediate structures from an optimization in internal coordinates.

OptCart
Write the intermediate structures from an optimization in Cartesian coordinates.

Basis
Write the basis set data (exponents, coefficients, etc.).

MO
Write the Molecular orbitals.

DENSITY-RELATED OPTIONS

Spin
If densities are requested, write separate and components (the default is the total density).

UseNO
If densities are requested, use the natural orbital representation (the default is the density lower triangle).

SCFDensity
Write the SCF density.

CurrentDensity
Write the generalized density for the current method.

AllDensities
Write all available densities.

CurrTrans
Write the transition density between the ground and current state.

GroundTrans
Write the transition densities between the ground and all excited states.

GroundCurrTrans
Write all transition densities involving either the ground or the current state.

AllTrans
Write all transition densities.

CurrEx1PDM
Write the CI-Singles 1PDM for the current state.

AllEx1PDM
Write all CI-Singles 1PDMs.

Output, %Chk; see also the discussion of the formchk utility in the manual.

Return to TOC