@misc{indiciae6b60996e4a2d, title = {The CP-PAW Code Package for First-Principles Calculations from a User’s Perspective}, author = {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) and Schade, Robert [Paderborn Center for Parallel Computing (PC2), Paderborn University, Paderborn 33098, Germany] and 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] and Rajpurohit, Sangeeta [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] and Rathnakaran, Amrith [Institute for Theoretical Physics, Georg-August University, Göttingen 37073, Germany]}, year = {2026}, doi = {10.1021/acs.jpca.6c00342}, url = {https://www.osti.gov/biblio/3685261}, note = {Source identifier: 3685261} }