TY - RPRT TI - First-principle molecular dynamics with ultrasoft pseudopotentials: parallel implementation and application to extended bioinorganic systems. AU - P Giannozzi AU - F De Angelis AU - R Car PY - 2004 DO - 10.1063/1.1652017 UR - https://pubmed.ncbi.nlm.nih.gov/15267472/ ID - 15267472 ER -