GIMS: Graphical Interface for Materials Simulations

Kokott, Sebastian; Hurtado, Iker; Vorwerk, Christian; Draxl, Claudia; Blum, Volker; Scheffler, Matthias

doi:/10.21105/joss.02767

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GIMS: Graphical Interface for Materials Simulations

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Kokott, Sebastian
NOMAD, Fritz Haber Institute, Max Planck Society;

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Hurtado, Iker
NOMAD, Fritz Haber Institute, Max Planck Society;

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Scheffler, Matthias
NOMAD, Fritz Haber Institute, Max Planck Society;

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引用

Kokott, S., Hurtado, I., Vorwerk, C., Draxl, C., Blum, V., & Scheffler, M. (2021). GIMS: Graphical Interface for Materials Simulations. The Journal of Open Source Software, 6(57):. doi:/10.21105/joss.02767.

引用: https://hdl.handle.net/21.11116/0000-0009-8072-5

要旨

GIMS (Graphical Interface for Materials Simulations) is an open-source browser-based tool-
box for electronic-structure codes. It supports the generation of input files for first-principles
electronic-structure calculations and workflows, as well as the automated analysis and visual-
ization of the results. GIMS is deliberately extendable to enable support for any electronic-
structure code. Presently, it supports two different software packages: the numerical atom
centered orbital package FHI-aims and the LAPW code exciting.