cry (version 0.5.2)

calculate_cell_volume: S3 generic to compute cell volume

Description

The volume of a unit cell and a reciprocal unit cell can be calculated starting from specific objects, files, etc.

Usage

calculate_cell_volume(x, ...)

Value

V A real number. The volume (in \(angstroms^3\) or

\(angstroms^{-3}\)) of the input unit cell or reciprocal unit cell.

Arguments

x

An object used to select a method. Either an object of class unit_cell or an object of class rec_unit_cell.

...

Further arguments passed to or from other methods.

Examples

# Calculate the volume of a unit cell
uc <- unit_cell(20)
V <- calculate_cell_volume(uc)

# Calculate the volume of the corresponding reciprocal cell
ruc <- create_rec_unit_cell(uc)
Vrec <- calculate_cell_volume(ruc)
V*Vrec  # Should be 1!