Diffraction calculator of hexagonal unit cells

Enter number of shells in the 2D-hexagonal unit cell, their radius r, ther electron density c and their shape (circular or hexagonal). Radii should be increasing from 1 to 10 and overlapping of hexagons and circles should be avoided. The first 15 diffraction peaks of the hexagonal lattice will be calculated. The values are listed hk^2, q(hk), F(hk) and I(hk) - where the intensities I(hk) are the amplitudes squared F^2 divided by the multiplicity and by hk^2 - in arbitrary units and can be copied and pasted from the window into any text-file for further processing and graphical displaying.

Input hk^2, q, F(q), I(q)
shells d
r(1) c(1)
r(2) c(2)
r(3) c(3)
r(4) c(4)
r(5) c(5)
r(6) c(6)
r(7) c(7)
r(8) c(8)
r(9) c(9)
r(10) c(10)


Author: M.Kriechbaum, TU-Graz (2018), e-mail: manfred.kriechbaum@tugraz.at