The SPHInX repository Christoph Freysoldt
- Login: freysoldt
- Registered on: 01/06/2016
- Last connection: 12/06/2025
Issues
| open | closed | Total | |
|---|---|---|---|
| Assigned issues | 1 | 1 | 2 |
| Reported issues | 0 | 0 | 0 |
Projects
| Project | Roles | Registered on |
|---|---|---|
| SPHInX | Developer, Reporter | 09/01/2020 |
| SPHInX-releases | Manager, Developer, Reporter | 05/09/2019 |
Activity
05/21/2026
- 07:36 PM SPHInX Revision 9393cf8c (sphinx): do not compute kinetic energy density if not meta-GGA
- 07:36 PM SPHInX Revision 7db1e588 (sphinx): timers for meta-GGAs + some general timer cleanup
- 07:36 PM SPHInX Revision a6306644 (sphinx): VASP PAWpots: read kinetic energy density of the core
05/13/2026
- 03:02 PM SPHInX Revision c61e91dd (sphinx): use pseudo-core contribution to kinetic energy density, to avoid inconsistencies from violating the von-Weizsaecker limit
- 03:02 PM SPHInX Revision 95da4668 (sphinx): meta-GGA: compute PAW core energy
- 03:02 PM SPHInX Revision 68eff9c0 (sphinx): radial part of meta-GGA
- 03:02 PM SPHInX Revision 421b9661 (sphinx): fixes to wave function computation (and low-end of spherical xc)
- 03:02 PM SPHInX Revision bac3ad72 (sphinx): compute kinetic energy density for core
04/17/2026
- 07:04 PM SPHInX Revision a6bd5893 (sphinx): routine to compute the (non-relativistic) core wave functions
04/14/2026
- 03:37 PM SPHInX Revision 17ebdf94 (sphinx): implement MGGA in SxPAWHamiltonian/preconditioning.
- There seems some 1e-7 problem with energy/gradient consistency that needs to be looked at.
Also preconditioning must ...
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