:orphan:
CFREAD
======
CFREAD is a utility program for getting information from the file DFCOEF containig
MO-coefficients, orbital energies and, if relevant, information about boson or linear
symmetries. Usage is straightforward, for instance::
dirac 26>cfread.x DFCOEF
CFREAD; Information read from file : DFCOEF
- Heading :DIRAC: No title specified !!! Tue Sep 24 23:05:49 2013
- Total energy: -75.1621606438559979
- Fermion ircops : 1
-----------------------------------
- Negative-energy orbitals: 0
- Positive-energy orbitals: 21
- AO-basis functions : 21
Note that the electronic energy is calculated before diagonalization, so that coefficients from iteration *n*
refer to electronic energy from iteration *n-1*. At convergence this should not matter.