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GUI4dft — A SIESTA oriented GUI

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Mendeley Data2021-02-17 更新2026-04-09 收录
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The Graphical User Interface for Density Functional Theory (GUI4dft) is a new software for users of SIESTA. It is a free cross-platform software with a graphical user interface. GUI4dft allows the user to work with standard SIESTA files and prepare manuscript-quality figures of the atomic structure and properties such as three-dimensional charge density distributions, DOS, PDOS, and band structure. GUI4dft is written in Python language and falls under an MIT license.

创建时间:
2021-02-17
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