manual   quickstart   instguide   update   basis

Next: 42.10.10 Orthogonality constraints Up: 42.10 Point group symmetry Previous: 42.10.8 Freezing structure coefficients   Contents   Index   PDF

42.10.9 Deleting structures from the optimization

DELSTRUC,i$_1$, i$_2$,...,[ALL],[NONE];

Deletes the specified structures from the wavefunction. The special keywords ALL or NONE may be used. A structure coefficient may already be zero by symmetry (as defined by SYMELM and ORBREL), in which case deleting it has no effect. 2015-09-03