CurvMethod
CurvMethod
Section Mesh::Curvilinear
Type integer
Default curv_uniform
The relevant functions in octopus are represented on a mesh in real space.
This mesh may be an evenly spaced regular rectangular grid (standard mode),
or else an adaptive or curvilinear grid. We have implemented
three kinds of adaptive meshes, although only one is currently working,
the one invented by F. Gygi (curv_gygi). The code will stop if any of
the other two is invoked. All are experimental with domain parallelization.
Options:
- curv_affine:
Regular, uniform rectangular grid.
- curv_gygi:
The deformation of the grid is done according to the scheme described by
F. Gygi [F. Gygi and G. Galli, Phys. Rev. B 52, R2229 (1995)].
- curv_briggs:
The deformation of the grid is done according to the scheme described by
Briggs [E.L. Briggs, D.J. Sullivan, and J. Bernholc, Phys. Rev. B 54 14362 (1996)]
(NOT WORKING).
- curv_modine:
The deformation of the grid is done according to the scheme described by
Modine [N.A. Modine, G. Zumbach and E. Kaxiras, Phys. Rev. B 55, 10289 (1997)]
(NOT WORKING).