TY - RPRT TI - The CP-PAW Code Package for First-Principles Calculations from a User’s Perspective AU - Blöchl, Peter E [Institute for Theoretical Physics, Clausthal University of Technology, Clausthal-Zellerfeld 38678, Germany; Center for Advanced Systems Understanding (CASUS), Helmholtz Zentrum Dresden-Rossendorf, Dresden 01328, Germany] (ORCID:0000000214165207) AU - Schade, Robert [Paderborn Center for Parallel Computing (PC2), Paderborn University, Paderborn 33098, Germany] AU - Allen-Rump, Lukas [Institute for Theoretical Physics, Clausthal University of Technology, Clausthal-Zellerfeld 38678, Germany; Institute for Theoretical Physics, Georg-August University, Göttingen 37073, Germany] AU - Rajpurohit, Sangeeta [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] AU - Rathnakaran, Amrith [Institute for Theoretical Physics, Georg-August University, Göttingen 37073, Germany] PY - 2026 DO - 10.1021/acs.jpca.6c00342 UR - https://www.osti.gov/biblio/3685261 ID - 3685261 ER -