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Data publication: The CP-PAW Code Package for First-Principles Calculations from a User's Perspective

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

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@misc{blochl_peter_2026_4808,
  author       = {Blöchl, Peter and
                  Schade, Robert and
                  Allen-Rump, Lukas and
                  Rajpurohit, Sangeeta and
                  Rathnakaran, Amrith and
                  Tamoev, Konstantin and
                  Lokamani, Mani and
                  Kühne, Thomas Dae-Song},
  title        = {{Data publication: The CP-PAW Code Package for 
                   First-Principles Calculations from a User's
                   Perspective}},
  month        = jul,
  year         = 2026,
  doi          = {10.14278/rodare.4808},
  url          = {https://doi.org/10.14278/rodare.4808}
}
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Publication date:
July 22, 2026
DOI:
10.14278/rodare.4808

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10.14278/rodare.4808

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Keyword(s):
electronic structure ab initio molecular dynamics code all-electron projector augmented-wave (PAW) method with the Car–Parrinello (CP) approach
Related identifiers:
Identical to:
https://www.hzdr.de/publications/Publ-43683
Referenced by:
10.1021/acs.jpca.6c00342, https://www.hzdr.de/publications/Publ-43679
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License (for files):
Creative Commons Attribution 4.0 International

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Version 1 10.14278/rodare.4808 Jul 22, 2026
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