Re: [SIESTA-L] Tips for symmetry?

There's also the GridCellSampling block that is intented for this, too. 2009/6/25 David Strubbe dstru...@berkeley.edu Ben, Your symmetry is probably not being broken by numerical noise, which is all that those tolerances will affect, but rather by the real-space mesh, i.e. the eggbox

[SIESTA-L] Tips for symmetry?

Hi all, Does anyone have any tips for getting better symmetry for geometry optimizations/relaxations (MD.typeofrun CG). Right now my relaxations are symmetric only to the second or third decimal place, but I would like much better symmetry (like to the 6th decimal place). I have tried making the