2587 4 6303 document 2587 Computational-Modelling.tar.gz application/x-gzip 758d68fa5da23572cafa33ff8c907404 MD5 589387 2016-03-22 17:35:07 https://researchdata.bath.ac.uk/183/2/Computational-Modelling.tar.gz 183 2 2 application/x-gzip other GZip-compressed TAR-format archive of the key output from the first-principles modelling work performed for the referenced publication. Includes the optimised structures and the calculated electronic density-of-states and band-dispersion curves. en public cc_by

Computational-Modelling.tar.gz

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