"PyDII: A python framework for computing equilibrium intrinsic point defect ..."

Hong Ding et al. (2015)

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DOI: 10.1016/J.CPC.2015.03.015

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type: Journal Article

metadata version: 2024-05-07

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Hong Ding, Bharat Medasani, Wei Chen, Kristin A. Persson, Maciej Haranczyk, Mark Asta:
PyDII: A python framework for computing equilibrium intrinsic point defect concentrations and extrinsic solute site preferences in intermetallic compounds. Comput. Phys. Commun. 193: 118-123 (2015)

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