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Published October 14, 2024 | Version v1
Dataset Open

Theoretical calculations for 10.1126/sciadv.adl4481

Creators

  • 1. University of Trento

Description

This dataset contains the data for the density fuctional theory calculations in the paper 10.1126/sciadv.adl4481

This includes: input files for quantum espresso, input files for bands up, plot scripts. All details required to reproduce the calculations are also detailed in the paper. 

Files

theory_for_Sci.Adv.10_eadl4481_2024.zip

Files (13.4 MB)

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md5:5abd498258563f13c8a7862f5a06c765
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Additional details

Funding

DELIGHT – Discovering light-induced phases by first-principles material design 101052708
European Commission