Constant normalizing wrapped gaussian

Constant normalizing wrapped gaussian

Usage

kgauss(sigma, a)

Arguments

sigma

A real number. Is the standard deviation of the wrapped gaussian.

a

A real number. The unit cell side length.

Value

A real number, the multiplicative constant normalizing the wrapped gaussian atom so that the area under the curve is equal to 1.

Examples

Z <- 16  # Sulphur atom
sigma <- 0.05*sqrt(Z)
a <- 15  # Unit cell size
kk <- kgauss(sigma,a)
print(kk)
#> [1] 1.994711