[DFTB-Plus-User] DFTB-Plus-User Digest, Vol 11, Issue 3

[Ben Hourahine]

Hello John,

the official release will hopefully be later this year, probably after the DFTB
CECAM meeting in Bremen this Fall.

On which topic, the final deadline for applications to attend the
meeting is this Friday:

http://www.bccms.uni-bremen.de/events/2015/cecam_dftb/

Regards

Ben

On 24/07/15 19:30, John Travers wrote:
> Hi Ben
> Thank you for the information. Do you know when the version 1.3 will be released? 
> Best wishes
> John 
> 
> 
>      On Thursday, July 23, 2015 6:00 AM, "dftb-plus-user-request at mailman.zfn.uni-bremen.de" <dftb-plus-user-request at mailman.zfn.uni-bremen.de> wrote:
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> Today's Topics:
> 
>   1. Re: questions on setting up a dftb calculation of carbon
>       nanotube (B?lint Aradi)
>   2. Re: questions on setting up a dftb calculation of carbon
>       nanotube (Ben Hourahine)
> 
> 
> ----------------------------------------------------------------------
> 
> Message: 1
> Date: Wed, 22 Jul 2015 13:08:14 +0200
> From: B?lint Aradi <aradi at uni-bremen.de>
> To: John Travers <jtravers70 at yahoo.com>, User list for DFTB+ related
>     questions <dftb-plus-user at mailman.zfn.uni-bremen.de>
> Subject: Re: [DFTB-Plus-User] questions on setting up a dftb
>     calculation of carbon nanotube
> Message-ID: <55AF799E.5000100 at uni-bremen.de>
> Content-Type: text/plain; charset="utf-8"
> 
> Dear John,
> 
>> I am new to dftb+. I am trying to perform the DOS calculations of
>> different kinds of carbon nanotubes. How do I define the periodic
>> boundary condition in the direction of the tube axis? Could someone
>> teach me how this is done in dftb+? Thanks !
> 
> Have a look in the autotest, the examples 10-0Ctube and 10-10Ctube in
> the non-scc folder could serve as a starting point.
> 
>   Best regards,
> 
>   B?lint
> 
> 
> 
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-- 

      Dr. B. Hourahine, 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

2013/4 THE Awards Entrepreneurial University of the Year
      2012/13 THE Awards UK University of the Year

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




-- 

      Dr. B. Hourahine, 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

2013/4 THE Awards Entrepreneurial University of the Year
      2012/13 THE Awards UK University of the Year

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