[DFTB-Plus-User] cif to gen conversion
benjamin.hourahine at strath.ac.uk
Wed Mar 27 09:00:11 CET 2019
There are also several cif2??? tools that can convert to xyz:
On 27/03/2019 06:45, Gabriele Penazzi wrote:
> 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,
>> Research Professor
>> Brain Korea 21 Plus, Department of Electrical and Computer Engineering
>> University of Seoul, Seoul, Korea
>> DFTB-Plus-User mailing list
>> DFTB-Plus-User at mailman.zfn.uni-bremen.de
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