17431 2 63281 document 17431 Quenching.tar.gz application/gzip 788596059b279fb96d3170cadd757cb2 MD5 1454593885 2023-09-28 22:31:08 https://researchdata.bath.ac.uk/1309/11/Quenching.tar.gz 1309 11 11 application/gzip other This directory creates the figures plotted from quenched structures. It contains two notebooks that process data from relaxed (quenched) structures from the MD. Structures: contains quenched structures from the real MD. Static_structures: contains quenched structures from the static fluorine MD. For each structure the set contains: an INCAR, a vasprun.xml, a POSCAR (starting structure drawn from MD), and a CONTCAR (relaxed structure). en public cc_by

Quenching.tar.gz

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