Hello everyone, I was wondering if anyone could give me some information or tips about using the GridCellSampling option in a smart way.
In the case of a triclinic cell, do the grid cell sampling vectors displace the mesh along the unit cell vectors, or along cartesian vectors? Using FCC grid sampling does a very good job of removing the egg-box effect, but I just wanted to make sure that it's not causing problems somewhere else that I'm not aware of. For instance, if I'm optimizing the geometry of a triclinic system, are there 'bad' grid sampling vectors to choose that might skew the shape of the cell? Or is it just a question of some choices being more efficient than others? Finally, could anyone recommend an article that might illustrate how grid sampling improved a calculation? Thanks very much for your time, Mike
