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

[Benjamin Hourahine]

Alternatively, you can convert to gen format (xyz2gen tool is provided with the DFTB+ install) and provide lattice vectors.

Regards,

Ben

Dr. B. Hourahine
Senior Lecturer and Director of Student Support
Department of Physics, SUPA
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+44 141 548 2325, benjamin.hourahine at strath.ac.uk

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________________________________
From: DFTB-Plus-User <dftb-plus-user-bounces at mailman.zfn.uni-bremen.de> on behalf of Faiza Nazar <faiza.nazar95 at gmail.com>
Sent: 23 August 2023 06:38
To: User list for DFTB+ related questions <dftb-plus-user at mailman.zfn.uni-bremen.de>
Subject: [DFTB-Plus-User] How to convert XYZ into Vasp format

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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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