[DFTB-Plus-User] cif to gen conversion

[Ben Hourahine]

Hello,

There are also several cif2??? tools that can convert to xyz:

https://github.com/andeplane/cif2cell-lammps

https://github.com/JJPPeters/CIF2XYZ

Regards

Ben


On 27/03/2019 06:45, Gabriele Penazzi wrote:
> Hi, 
>
> you can use the ASE package (Atomic Simulation Environment). It
> supports read/write to and from cif and gen
>
>
> -- 
> Gabriele Penazzi mobile: +49 (0) 151 19650383
> <tel:+49%20(0)%20151%2019650383> skype: gabriele.penazzi
>
> On 27 Mar 2019, at 06:29, 전영인 <yijhon at uos.ac.kr
> <mailto:yijhon at uos.ac.kr>> wrote:
>
>> Dear Sir,
>>
>>  
>>
>> I'd like to convert a cif file to a gen format file.
>>
>> There is a xyz2gen utility. Is the ultility for cif2gen provided to
>> prepare the input to DFTB+?
>>
>> Thank you for your answer in advance.
>>
>>  
>>
>> Best regards,
>>
>>   Young
>>
>>
>> Research Professor
>>
>> Brain Korea 21 Plus, Department of Electrical and Computer Engineering
>>
>> University of Seoul, Seoul, Korea
>>
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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

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