43.7 Specifying a guess

GUESS;key-1,...;key-2,...;...

The GUESS keyword initiates the input of a guess for the valence bond orbitals and structure coefficients. key-i can be either ORB, STRUC or READ. These keywords modify the guess provided by the program, or specified by the START directive. It is thus possible to modify individual orbitals in a previous solution to construct the starting guess.


Subsections

molpro@molpro.net 2018-10-21