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Re: Firefly documentation updated


Dear All,

concerning the manual I have found some contradictory information
about the use of symmetry with ISTSYM.

The manual (on page 121) states that the number ISTSYM associated with the symmetry label can be found looking at the string

The example gives ISTSYM=3 for the Bu label in C2h group.
Later in the manual one finds that ISTSYM=4 for Bu in C2h.
The main problem is that I am performing a CASSCF in C2h symmetry
and I must use ISTSYM=2 to get Bu states.

Am I doing something wrong or is there some error in the manual?

Also, is it possible to add page number to the manual?


On Wed Oct 2 '13 3:46pm, Thomas Pijper wrote
>Dear all,

>The Firefly manual has been updated today. The new files can be found in the "Manuals" section.
>Kind regards,

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