[DFTB-Plus-User] Restart TDDFTB

[Ben Hourahine]

Hello Toufik,


could you give some more details?


Is this a calculation for a specific excited states of a static
structure, or are you optimizing/performing dynamics in the excited
state, or calculating multiple excitation energies? Also, at which stage
did the calculation halt (during ground state self-consistency or the
Casida calculation)?


Reagrds


Ben


On 27/11/2020 09:08, toufik esssakhri wrote:
> Dear all,
>
> I am writing to kindly ask how to restart TDDFTB calculations (Casida
> tag with Range Separated functional). I am using DFTB+ 20.1 version.
>
> Best regards,
> Toufik
>
>
> _______________________________________________
> DFTB-Plus-User mailing list
> DFTB-Plus-User at mailman.zfn.uni-bremen.de
> https://eur02.safelinks.protection.outlook.com/?url=https%3A%2F%2Fmailman.zfn.uni-bremen.de%2Fcgi-bin%2Fmailman%2Flistinfo%2Fdftb-plus-user&data=04%7C01%7Cbenjamin.hourahine%40strath.ac.uk%7C2806e33a3fb743c999e908d892b4106a%7C631e0763153347eba5cd0457bee5944e%7C0%7C1%7C637420649910446499%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C2000&sdata=NkdxAza%2BeQo9DRl54HiVcFxyPrBju8YG0v82yvgCvmY%3D&reserved=0

-- 
        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

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20201127/647965c9/attachment.htm>