Dataset Open Access

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

All scripts needed to reproduce the results of the publication

Files (25.8 kB)
Name Size
tutorial-main.zip
md5:f2ffdc13f6c49eaa268e4e740f48522c 		25.8 kB Download
19
0
views
downloads
All versions This version
Views 1919
Downloads 00
Data volume 0 Bytes0 Bytes
Unique views 1919
Unique downloads 00
More info on how stats are collected.
Publication date:
July 22, 2026
DOI:
10.14278/rodare.4808

RODARE DOI Badge

DOI 

10.14278/rodare.4808

Markdown 

[![DOI](https://rodare.hzdr.de/badge/DOI/10.14278/rodare.4808.svg)](https://doi.org/10.14278/rodare.4808)

reStructedText 

.. image:: https://rodare.hzdr.de/badge/DOI/10.14278/rodare.4808.svg
   :target: https://doi.org/10.14278/rodare.4808

HTML 

<a href="https://doi.org/10.14278/rodare.4808"><img src="https://rodare.hzdr.de/badge/DOI/10.14278/rodare.4808.svg" alt="DOI"></a>

Image URL 

https://rodare.hzdr.de/badge/DOI/10.14278/rodare.4808.svg

Target URL 

https://doi.org/10.14278/rodare.4808

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
Communities:
License (for files):
Creative Commons Attribution 4.0 International

Versions

Version 1 10.14278/rodare.4808 Jul 22, 2026
Cite all versions? You can cite all versions by using the DOI 10.14278/rodare.4807. This DOI represents all versions, and will always resolve to the latest one. Read more.

Share

Cite as

Export