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orbital energy output
Remi
chauvin@lcc-toulouse.fr
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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Fri Apr 29 '16 1:26pm
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