[molpro-user] Question about "frequency"

pauli zhangrutangtao at 163.com
Thu Jan 24 02:10:07 GMT 2013


Hi everyone:


    I am reading the chapter of  “frequency”. And I wonder whether the command can follow the SO calculation. For example, if Ω state is energy(3),just the command after calculation of SO compute in the equilibrium geometry is OK?
   frequencies;variable,energy(3);


   Is there anything I missed?And is "frequency" directive following the equilibrium geometry calculation without “optg” same as the directive following the initial point calculation with “optg”?


  Waiting you for your anwser.


-tao









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