64.6 Projecting orbitals (PROJECT)

PROJECT,namin.file

This command will read vectors from record namin.file. These vectors must have the same dimension as those of the current calculation. All orbitals defined so far by the ORBITAL, MOVE, and ADD directives are projected out of the input set. The projected orbitals are then orthonormalized and moved to the undefined output vectors. This should always yield a complete set of vectors.


molpro@molpro.net 2018-12-10