Examples showing different ways to define a k-point set

A perl script to run the test.

Contains the parameters for C-ETB by Mehl et al. at NRL

Contains the 2x2x2 MP mesh and symmetry information of a diamond structure in a fcc unit cell.

A main xml file to perform a total energy calculation by 2x2x2 MP k-point mesh. Grid and shift are given and ohmms generates the mesh.

A main xml file to perform a total energy calculation by 2x2x2 MP k-point mesh. Use the k-point and weights generated by ohmms in a list format.

A main xml file to perform a total energy calculation by 2x2x2 MP k-point mesh. Using an external source KPOINT.2x2x2.xml generated by ohmms.

A main xml file to perform a band structure calculation using <sk/>'s.