Alejandro Varas edited geometry optimization.tex  over 9 years ago

Commit id: 5f3d4fe3a4e3e25d6ebd2b8b8212245727048a01

deletions | additions      

       

When performing geometry optimization on real-space grids, the spacing should be one of the most important aspects to consider in order to get accurate results. However, one of the weaknesses in previous versions of Octopus, was the prediction of low-energy structures, performing geometry optimizations, regardless of the spacing of the mesh.  If not all, most methods to obtain stable structures are based on local minimizers, which are algorithms adapted to identify the first minimum-energy structure starting from an arbitrary point on the coordinates space.