next up previous contents index
Next: 1ELECTRON (O) Up: Definitions of keywords Previous: + (C)   Contents   Index

0SCF (O)

The data can be read in and output, but no actual calculation is performed when this keyword is used. This is useful as a check on the input data. All obvious errors are trapped, and warning messages printed.

A second use is to convert from one format to another. The input geometry is printed in various formats at the end of a 0SCF calculation. If NOINTER is absent, cartesian coordinates are printed. Unconditionally, MOPAC Z-matrix internal coordinates are printed, and if AIGOUT is present, Gaussian Z-matrix internal coordinates are printed. 0SCF should now be used in place of DDUM.



root 2003-07-07