[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20130124/08ae11c7/attachment.html>
More information about the Molpro-user
mailing list