SPHInX-Wiki¶

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

by

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

About¶

Introduction
List of S/PHI/nX authors
License
Impressum

Download¶

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.... = alter Link nach sxlib : http://sxlib.mpie.de/wiki/Download

Mailing list / Contact / News¶

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

2. Questions on downloading, building, or using S/PHI/nX
sxusers at mpie.de: 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 mpie.de

4. Follow us on Twitter:

• @Sixten Boeck
• @Bjoern Lange
• @SxZhangS

Documentation¶

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

Testbed¶

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

Contributing Partners¶

• Defect Chemistry and Spectroscopy group
  Computational Materials Design Dept.
  Max-Planck-Institut fuer Eisenforschung
  Duesseldorf, Germany

• Gemmantics IT-Consulting
  Erkrath, Germany

• Photonics Theory Group
  Tyndall National Institute,
  Cork, Ireland

• Rechenzentrum Garching of the Max-Planck-Society and the IPP
  Garching, Germany