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CurvMethod

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CurvMethod

Section Mesh::Curvilinear
Type integer
Default curv_affine

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 the one invented by F. Gygi (curv_gygi) is well tested; the other two are flagged as experimental and require ExperimentalFeatures = yes. All are experimental with domain parallelization, and none of them is available on GPUs.

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)]
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)]

Source information

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