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the_mcscf_program_multi [2025/04/14 07:08] – replace \ldots with ... , text should be as in Molpro2015 manual dollthe_mcscf_program_multi [2025/07/22 07:08] (current) – typo doll
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 The command stores the raw orbitals used in the optimization in the given record //record//. All options have the same effect as described for ''NATORB'', except the options ''SPIN'' and ''STATE'' which have no effect. The command stores the raw orbitals used in the optimization in the given record //record//. All options have the same effect as described for ''NATORB'', except the options ''SPIN'' and ''STATE'' which have no effect.
 The input orbitals stay unchanged if this is combined with ''dont,orbital''. The input orbitals stay unchanged if this is combined with ''dont,orbital''.
-However, if absolutely no changes in the orbitals are desired, the extra symmetry treatment has to be manually switched off with the ''NOEXTA'' directive, +However, if absolutely no changes in the orbitals are desired, the extra symmetry treatment has to be manually switched off with the ''NOEXTRA'' directive.
  
 All printed [[the_mcscf_program_multi#calculating_expectation_values|expectation values]] are calculated from this orbital set.  All printed [[the_mcscf_program_multi#calculating_expectation_values|expectation values]] are calculated from this orbital set. 
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 In contrast to the MCSCF optimization, the input orbitals are not changed (equivalent to [[the_mcscf_program_multi#raw_orbitals|RAWORB]]). In contrast to the MCSCF optimization, the input orbitals are not changed (equivalent to [[the_mcscf_program_multi#raw_orbitals|RAWORB]]).
 If natural or canonical orbitals are desired, the additional directive has to be added to the input. If natural or canonical orbitals are desired, the additional directive has to be added to the input.
-Note that the extra symmetry treatment has to be manually switched off with the ''NOEXTA'' directive, if absolutely no changes in the orbitals are desired. +Note that the extra symmetry treatment has to be manually switched off with the ''NOEXTRA'' directive, if absolutely no changes in the orbitals are desired.