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Paper

Polarisation, Born Effective Charges, and Topological Invariants via a Berry-Phase Approach

MPS-Authors
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Carbogno,  Christian       
NOMAD, Fritz Haber Institute, Max Planck Society;

/persons/resource/persons265804

Rybin,  Nikita
NOMAD, Fritz Haber Institute, Max Planck Society;

/persons/resource/persons227643

Panahian Jand,  Sara
NOMAD, Fritz Haber Institute, Max Planck Society;

/persons/resource/persons232555

Akkoush,  Alaa
NOMAD, Fritz Haber Institute, Max Planck Society;

/persons/resource/persons213537

Yuan,  Zhenkun
NOMAD, Fritz Haber Institute, Max Planck Society;

/persons/resource/persons21421

Rossi,  Mariana       
NOMAD, Fritz Haber Institute, Max Planck Society;

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2501.02550.pdf
(Preprint), 8MB

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Citation

Carbogno, C., Rybin, N., Panahian Jand, S., Akkoush, A., Yuan, Z., Rossi, M., et al. (in preparation). Polarisation, Born Effective Charges, and Topological Invariants via a Berry-Phase Approach.


Cite as: https://hdl.handle.net/21.11116/0000-0010-692A-A
Abstract
This paper represents one contribution to a larger Roadmap article reviewing the current status of the FHI-aims code. In this contribution, the implementation of polarization, Born- effective charges and topological invariants using a Berry-phase approach in a all-electron, numeric atom-centered orbitals framework is summarized. Guidelines on usage and links to tutorials are provided.