[DFTB-Plus-User] is it possible to use DFTB+ for TDDFTB calculations

khavrel at thermo.chem.msu.ru khavrel at thermo.chem.msu.ru
Tue Feb 17 12:59:09 CET 2015


Please exclude this adress (khavrel at thermo.chem.msu.ru) from DFTB+ user 
mail list. I have already unsubscribed from DFTB-plus-user list 
12.09.2014 (confirmation letter have been sent to me). But to date 
letters continue to go to my mailbox. Sending the note to 
dftb-plus-user-owner at mailman.zfn.uni-bremen.de did not help. I strongly 
hope the problem will be settled.

17.02.2015 13:23, Bálint Aradi пишет:
> Dear Gao,
>
>> I wonder if I could use DFTB+ 1.2.2 for time-dependent DFTB
>> calculations? If possible, may I ask what keywords should I use? Thank
>> you very much.
> We are still fixing some issues on the TD-DFTB+, so it has not been
> officially released yet. Based on your project, it could be eventually
> obtained from Thomas Niehaus at University Regensburg (the person behind
> the TD-DFTB+ development) as part of a colaboration.
>
>    Best regards,
>
>    Bálint
>
>
>
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