{ `ITERATIONS`;

`DO`,*method1,iter1*[,`TO`,*iter2*];

`DONT`,*method2,iter3*[,`TO`,*iter4*];

}

*method* can be one of the following:

`DIAGCI`- Diagonalize hamiltonian in the beginning of the specified iterations. This is the default for iteration 1.
`INTERNAL`- Optimize internal orbitals at the beginning of the specified iterations. This is default for second and subsequent iterations.
`WERNER`- use Werner-Meyer-Knowles non-linear optimization method for the specified iterations. This is the default for all iterations.
`AUGMENT`- Use step-restricted Augmented Hessian method for the specified iterations.
`NEWTON`- Use Newton-Raphson method for specified iterations.
`UNCOUPLE`- Do not optimize orbitals and CI coefficients simultaneously in the specified iterations. This option will set DIAGCI for these iterations.
`NULL`- No orbital optimization.

molpro@molpro.net 2018-09-24