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Calculation Of Verdet ConstantsComputation of Verdet constants is requested via the following keyword PROP=VERDET An additional %frequency section is required in the ZMAT file, which should contain for a single frequency. Currently the calculation of Verdet constants is only available for CCSD and with no orbital relaxation (DIFF_TYPE=UNRELAXED) and is not available for ABCDTYPE=AOBASIS. Examples |