| commit | 63045b1e2d699ed105d17cb789d3c1a9e3910b72 | |
| author | Christian Meisenbichler <christian.meisenbichler@unileoben.ac.at> | |
| Fri, 29 Feb 2008 10:54:04 +0000 (29 11:54 +0100) | ||
| committer | Christian Meisenbichler <christian.meisenbichler@unileoben.ac.at> | |
| Fri, 29 Feb 2008 10:54:04 +0000 (29 11:54 +0100) | ||
| tree | 6e68205202d55a2e402ac9d4a93c1f5c63e67fa8 | treesnapshot (tar.gz zip) |
| parent | 2714f84206e1d4e942786bbd8a171dbc57c71b1b | commitdiff |
exciting-0.9.150
-Reduced density matrix functional theory (RDMFT) now available thanks to S. Sharma, see arXiv:0801.3787v1 [cond-mat.mtrl-sci] (experimental)
-Bug in symmetrisation of non-collinear magnetisation found and fixed by F. Cricchio, F. Bultmark and L. Nordström
-F. Bultmark added new input variable reducebf which reduces the external magnetic field by this value after each iteration, thus at the end of the s.c. loop the external magnetic fields are zero. By default there is no reduction. See the manual for details.
-OEP calculations are now considerably faster
-Hartree-Fock now works properly with magnetism
-Alexey Baranov suggested an improvement of the cubic spline routine and submitted an example on how to obtain perfectly smooth ELF plots (see Ru-ELF)
-various minor changes to formatting of output files
-added more code documentation
-minor improvements and optimisations
-Reduced density matrix functional theory (RDMFT) now available thanks to S. Sharma, see arXiv:0801.3787v1 [cond-mat.mtrl-sci] (experimental)
-Bug in symmetrisation of non-collinear magnetisation found and fixed by F. Cricchio, F. Bultmark and L. Nordström
-F. Bultmark added new input variable reducebf which reduces the external magnetic field by this value after each iteration, thus at the end of the s.c. loop the external magnetic fields are zero. By default there is no reduction. See the manual for details.
-OEP calculations are now considerably faster
-Hartree-Fock now works properly with magnetism
-Alexey Baranov suggested an improvement of the cubic spline routine and submitted an example on how to obtain perfectly smooth ELF plots (see Ru-ELF)
-various minor changes to formatting of output files
-added more code documentation
-minor improvements and optimisations
85 files changed: