$CPHF group (relevant for analytic RUNTYP=HESSIAN) This group controls the solution of the response equations, also known as coupled Hartree-Fock (CPHF). POLAR = a flag to request computation of the static polarizability, alpha. Because this property needs 3 additional response vectors, beyond those needed for the hessian, the default is to skip the property. (default = .FALSE.) CPHF = nature of integrals driving the formation of the response equation. The defaults are intelligent, so this is meant mostly for experts/debugging. = AO forms response equations from AO integrals, which usually takes less memory, and is more parallel. This is the default for RHF, UHF, ROHF, R-DFT, or U-DFT. AO-driven mode is not available for any other cases. = MO forms response equations from transformed MO integrals. This is the default for GVB or MCSCF. This is available forRHF or ROHF. = AODDI forms response equations from AO integrals, using distributed memory (see MEMDDI). This does AO integrals about 2x more than AO, but spreads the CPHF memory requirement out across multiple nodes. Coded only for RHF. SOLVER = linear equation solver choice. This is primarily a debugging option. For RHF analytic Hessians, choose from CONJG (default), DIIS, ONDISK, not all of which will work for all CPHF= choices. For imaginary frequency dependent polarizability responses (MAKEFP jobs), choose GMRES (default), biconjugate gradient stabilized BCGST, DODIIS, or an explicit solver GAUSS. Most response equations have only one solver programmed, and thus ignore this keyword. NWORD = controls memory usage for this step. The default uses all available memory. (default=0) ========================================================== ==========================================================

generated on 7/7/2017