[DFTB-Plus-User] How to convert XYZ into Vasp format

Faiza Nazar faiza.nazar95 at gmail.com
Wed Aug 23 08:48:48 CEST 2023


Thank you so much. It worked

*Faiza Nazar*
*Ph.D. Research Scholar (Theoretical and Computational Chemistry)*
*HEJ Research Institute of Chemistry*
*International Center for Chemical and Biological Sciences (ICCBS)*
*Karachi, Pakistan*


On Wed, Aug 23, 2023 at 10:53 AM Huy Pham <pchuy1906 at gmail.com> wrote:

> A quick search in the internet gives me this:
> https://github.com/lqcata/xyz2POSCAR
>
> Best,
>
> Huy
>
> On Tue, Aug 22, 2023 at 10:38 PM Faiza Nazar <faiza.nazar95 at gmail.com>
> wrote:
>
>> Hello
>> Can anyone please guide me how to convert an xyz file into vasp format?
>> Thanks in advance
>>
>> *Faiza Nazar*
>> *Ph.D. Research Scholar (Theoretical and Computational Chemistry)*
>> *HEJ Research Institute of Chemistry*
>> *International Center for Chemical and Biological Sciences (ICCBS)*
>> *Karachi, Pakistan*
>>
>>
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>>
>
>
> --
>
> C. Huy Pham, Ph.D.
>
> Staff Scientist
>
> Lawrence Livermore National Laboratory
>
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>
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>
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