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                to) SIESTA (www.siesta-project.org) and its TranSIESTA functionality. SIESTA is a multi-purpose first-principles method and program, based on Density Functional Theory, which can be used to describe the atomic 
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                Incorporation date: as soon as possible RIANA project: This project has received funding from the European Union's Horizon Europe research and innovation programme under grant agreement No. 101130652. How 
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