[DFTB-Plus-User] TD-LC-DFTB

[Ben Hourahine]

Probably late this month (but there may be some slippage).


Regards


Ben


On 10/04/2020 11:25, toufik esssakhri via DFTB-Plus-User wrote:
> Thank you,
> When approximately will be available the next release?
>
> Regards
>
> ------------------------------------------------------------------------
> *De :* DFTB-Plus-User
> <dftb-plus-user-bounces at mailman.zfn.uni-bremen.de> de la part de Ben
> Hourahine via DFTB-Plus-User <dftb-plus-user at mailman.zfn.uni-bremen.de>
> *Envoyé :* jeudi 9 avril 2020 21:54
> *À :* dftb-plus-user at mailman.zfn.uni-bremen.de
> <dftb-plus-user at mailman.zfn.uni-bremen.de>
> *Cc :* Ben Hourahine <benjamin.hourahine at strath.ac.uk>
> *Objet :* Re: [DFTB-Plus-User] TD-LC-DFTB
>  
> Hello Toufik,
>
>
> yes this will be in the next release, not the 19.1 from last year.
>
>
> Regards
>
>
> Ben
>
>
> On 09/04/2020 18:36, toufik esssakhri via DFTB-Plus-User wrote:
>>
>> Dear DFTB+ developers,
>>
>> In your paper J. Chem. Theory Comput. 2017, 13, 1737 youapply
>> TD-LC-DFTB for some organic molecules.
>>
>> Islong-range corrected TD-DFTB method still onlyimplemented in the
>> development branch of the DFTB+program?
>>
>> I try to use it in 19.1 version, I get the following error
>>
>> “Range separated calculations not currently implemented for linear
>> response”
>>
>> Best Regards,
>>
>> Toufik
>>
>>
>>
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> -- 
>         Dr.  B.  Hourahine,  Senior  lecturer
>             SUPA, Department  of  Physics,
>              University  of  Strathclyde,
>               John  Anderson  Building,
>           107 Rottenrow, Glasgow G4 0NG, UK.                    
>   +44 141 548 2325, benjamin.hourahine at strath.ac.uk <mailto:benjamin.hourahine at strath.ac.uk>
>
> The  Department is  a partner  in SUPA,  the Scottish
>             Universities Physics Alliance
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> The University  of Strathclyde  is a  charitable body,
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-- 
        Dr.  B.  Hourahine,  Senior  lecturer
            SUPA, Department  of  Physics,
             University  of  Strathclyde,
              John  Anderson  Building,
          107 Rottenrow, Glasgow G4 0NG, UK.                    
  +44 141 548 2325, benjamin.hourahine at strath.ac.uk

The  Department is  a partner  in SUPA,  the Scottish
            Universities Physics Alliance

The University  of Strathclyde  is a  charitable body,
       registered in Scotland, number SC015263

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