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Re: orbital energy output

Alex Granovsky
gran@classic.chem.msu.su


Dear Remi,

This is not possible with regular Firefly version. This feature
requires minimal changes in source code so you can apply for customized Firefly version.

Kind regards,
Alex Granovsky


On Fri Apr 29 '16 1:26pm, Remi wrote
------------------------------------
>Dear Alex, dear all,
>Just two quick questions about the control of the output content :
>- how to increase the accuracy of the given orbital energy values (up to 6-8 digits instead of the 5 default) ?
>- is it possible to obtain a separate list of ordered orbital energies ?
>Thanks for your help.
>Remi


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