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Ulrich Wellms, 01/26/2016 08:41 AM


The object-oriented DFT program library S/PHI/nX [1]


S. Boeck1, C. Freysoldt2, J. Neugebauer3, et al

Sixten Boeck 1, boeck at gemmanntics com, Gemmantics IT-Consulting, Christoph Freysoldt2, freysoldt at mpie de, Max-Planck-Institut für Eisenforschung, Joerg Neugebauer3, neugebauer at mpie de, Max-Planck-Institut für Eisenforschung

[1] The object-oriented DFT program library S/PHI/nX
S. Boeck, C. Freysoldt, A. Dick, L. Ismer, J. Neugebauer
Comp. Phys. Comm. (182), 2011, 543-554


List of S/PHI/nX authors


S/PHI/nX is shipped as a set of C++ class libraries which can be used separately or as a whole. To download, follow here.... (hier muss noch der Link in...)

Mailing list / Contact / News

1. Subscribing to S/PHI/nX mailing list:
send a blank email to sxusers-subscribe at

2. Questions on downloading, building, or using S/PHI/nX
sxusers at requires successful subscription to mailing list

3. If you are interested in using SPHInX for developing your own code. Note that you are free to use SPHInX for (academic) development without our consent as indicated in the License. Any user requests to this email address will be ignored.
freysoldt at

4. Follow us on Twitter:


  • User guide under construction...
  • Programming Interfaces API Documentation
  • k.p tutorial


The testbed allows to ensure basic functionality of the code after compilation.

Contributing Partners

quamolResidue.jpg - Residue of plane-wave orbitals projected to quamols (39.8 KB) Christoph Freysoldt, 12/20/2018 04:05 PM

GaAs-vacGa-3-formEnergy.png (36.4 KB) Christoph Freysoldt, 12/20/2018 04:15 PM

SPHInX.png - SPHInX (44.8 KB) Christoph Freysoldt, 12/20/2018 04:32 PM

sxaccelerate.jpg - SxAccelerate logo (18.2 KB) Christoph Freysoldt, 12/20/2018 04:36 PM

pyiron-logo.png - pyiron logo (71.9 KB) Christoph Freysoldt, 12/20/2018 04:47 PM