Developers:Tests to be added
From OctopusWiki
There is in the current version of Octopus few parts of the code which are not tested properly, or not tested at all. Here is a non-exhaustive list of test to be added (if the test already exists, please remove it from the list):
3D Periodic systems
- GS of non-cubic cells for hexagonal symmetry
- Beyond LDA/GGA tests: mGGA, SIC, ...
- Forces and the stress tensor for primitive cells
- Spin-polarised systems, magnetic materials and metals
- Geometrical optimization in cubic/primitive cells
- GS Test of every output quantity and every output format
- TD calculations
Mixed periodicities
- Basic GS calculations in 1D periodic and 2D periodic
- Forces
- Geometrical optimization
- GS output
- TD calc., current, population, n_excited_el,...
- Beyond LDA/GGA tests: mGGA, SIC, ...
Other
- Spin-polarized version of ADSIC.
