Skip to content

Files

Latest commit

48c59d7 · May 28, 2019

History

History

Anisotropy

Folders and files

NameName
Last commit message
Last commit date

parent directory

..
May 28, 2019
May 28, 2019
May 28, 2019
May 28, 2019
May 28, 2019
May 28, 2019
May 28, 2019
May 28, 2019
May 28, 2019
May 28, 2019
May 28, 2019
May 28, 2019
May 28, 2019
This test checks the impact of an anisotropric grid on the eigenvalues
of a single carbon atom displaced along a diagonal between grid points.
The grid used has 20.0 a.u. on a side but has (48,50,52) points in the
(x.y,z) directions. This gives an anisotrop ration of 1.083 between
the x and z axes.

To run the test execute the shell script run.job which will generate
the eigenvalue splittings in the files eigs_alt and eigs_standard as
well as generating the graph anisotropy.png if xmgrace is installed
on the test platform. Depending on the mpi setup on the test platform
and the location of your rmg binary you may have to edit the script.