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Example input files and Fe foil data for FEFF EXAFS simulations of Fe

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NIAID Data Ecosystem2026-03-11 收录
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Feff input file containing Fe atomic positions, needed to run FEFF simulations of the EXAFS of Fe. The Demeter XAS analysis program files are also included (free software) : http://bruceravel.github.io/demeter/#about. These files can be used to simulate EXAFS of Fe using the FEFF software. This simulation is a building block for a future enhancement of the SIMEX (Simulation of Experiments) platform : https://github.com/eucall-software/simex_platform

创建时间:
2020-01-24
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