July 22, 2026 Dataset Open Access

Blöchl, Peter; Schade, Robert; Allen-Rump, Lukas; Rajpurohit, Sangeeta; Rathnakaran, Amrith; Tamoev, Konstantin; Lokamani, Mani; Kühne, Thomas Dae-Song

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      "affiliation": "Paderborn Center for Parallel Computing (PC2), Paderborn University, Paderborn 33098, Germany"
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  "keywords": [
    "electronic structure", 
    "ab initio molecular dynamics code", 
    "all-electron projector augmented-wave (PAW) method with the Car\u2013Parrinello (CP) approach"
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  "datePublished": "2026-07-22", 
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