vasp.reproduce: Reproduce the content of a unit cell in multiple direction of...

In theGreatWhiteShark/vasp2R: R package to import and plot results obtained by the DFT program VASP.

Usage

vasp.reproduce(x, lattice = NULL, x.rep = NULL, y.rep = NULL,
  z.rep = NULL, x.window = NULL, y.window = NULL, z.window = NULL)

Arguments

x	A data.frame containing at least two named columns "x" and "y" containing Cartesian coordinates or an object of class "vasp" to reproduce its atom positions and charge in one step.
lattice	A data.frame of dimension 3x3 containing the three lattice vectors in separate rows and their coordinates in different columns. See vasp.import. If an object of class "vasp" was supplied in the 'x' argument 'lattice' can be omitted.
x.rep	Number of reproductions along the first lattice vector of the unit cell given in a sequence.
y.rep	Number of reproductions along the second lattice vector of the unit cell given in a sequence.
z.rep	Number of reproductions along the third lattice vector of the unit cell given in a sequence.

Details

The number of reproductions has to be provided as a numerical vector (e.g. seq(-3,3)). Generic function working with both the specific content of the x, like the atom positions, and an object of class "vasp".

Value

Input 'x' extended by the additional content of the reproduced unit cell.

Author(s)

Philipp Mueller

See Also

Other vasp: vasp.bonds, vasp.diff, vasp.import, vasp.rotate.cell

theGreatWhiteShark/vasp2R documentation built on May 31, 2019, 9:10 a.m.