TY - RPRT TI - Constrained density functional theory calculation with iterative optimization AU - Kidd, Daniel AU - Umar, A. S. AU - Varga, Kálmán PY - 2018 DO - 10.1103/physrevb.98.075108 UR - https://www.osti.gov/biblio/1463044 ID - 1463044 ER -