TY - RPRT TI - PyDII: A python framework for computing equilibrium intrinsic point defect concentrations and extrinsic solute site preferences in intermetallic compounds AU - Ding, Hong AU - Medasani, Bharat AU - Chen, Wei AU - Persson, Kristin A. AU - Haranczyk, Maciej AU - Asta, Mark PY - 2015 DO - 10.1016/j.cpc.2015.03.015 UR - https://www.osti.gov/biblio/1512129 ID - 1512129 ER -