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

[Gao Bin]

Dear Bálint,


Thank you for your reply. I will then look forward to the new release of DFTB+ with this functionality. May I ask when the TD-DFTB+ will release? Thank you.


Cheers

Gao

________________________________
From: dftb-plus-user-bounces at mailman.zfn.uni-bremen.de <dftb-plus-user-bounces at mailman.zfn.uni-bremen.de> on behalf of khavrel at thermo.chem.msu.ru <khavrel at thermo.chem.msu.ru>
Sent: Tuesday, February 17, 2015 12:59 PM
To: User list for DFTB+ related questions
Subject: Re: [DFTB-Plus-User] is it possible to use DFTB+ for TDDFTB calculations

Please exclude this adress (khavrel at thermo.chem.msu.ru<mailto: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<mailto: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 ?????:

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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