kgauss: Constant normalizing wrapped gaussian

In crone: Structural Crystallography in 1d

Description

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)

crone documentation built on Aug. 24, 2019, 5:03 p.m.