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["Nuno A. G. Bandeira" <nuno.bandeira@ist.utl.pt>]

nh nh wrote:
> Dear Sir Nuno A. G. Bandeira!
> Thank you very much for your reply!
>       By using LUCO/HOCO, I can calculate both global hardness and softness.
>  
>       I consider, in order to calculate local softness for some atoms in 
> a periodic solid system I could  calculate a neutral and monopositive or 
> mononegative with a periodic solid system the same a finite molecular?

Yes, you can set the charge per unit cell. Look at the manual to analyse 
your options. You may run into convergence difficulties.


Regards,

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Nuno A. G. Bandeira, AMRSC
Graduate researcher and molecular sculptor
Inorganic and Theoretical Chemistry Group,
Faculty of Science
University of Lisbon - C8 building, Campo Grande,
1749-016 Lisbon,Portugal
http://cqb.fc.ul.pt/intheochem/nuno.html
Doctoral student @ IST,Lisbon
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