DFT + U study of uranium dioxide and plutonium dioxide with occupation matrix control

Published: 21 June 2022| Version 1 | DOI: 10.17632/zrcv3yw9sn.1
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Description

input files for VASP simulation, including typical INCAR, POSCAR, POTCAR, KPOINTS files

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Institutions

The University of Manchester

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Input/Output

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