Electron density calculator for 2D-hexagonal lattices
This Javascript calculates the 2D electron density distribution rho(r) of a hexagonal lattice from scattering data. Enter the value of the 2D-lattice spacing (d). Enter the peak intensities (as obtained with a 1D-detector) and the sign of the scattering amplitude (+ or -) of the first order reflection. The intensity values will be multiplicity- and Lorentz-corrected. For 2*Nr points rho(r) from -rmax = -rx = -ry to rmax = rx = ry will be calculated. If the calculation takes too long (on a slow computer) decrease Nr. For three reflections the electron density with the 4 sign combinations will be calculated: x/+/+, x/+/-, x/-/+, x/-/-, where x is the sign of the first order reflection. The values are listed/plotted in rho(r) vs rx, ry for all 4 combinations in arbitrary units and can be copied and pasted from the window into any text-file for further processing and graphical displaying.
Input
rho (rx, ry)
d
Nr
r
max
c(1)
+
-
c(2)
c(3)
colorscale:
Jet
Hot
Rainbow
Earth
Electric
Viridis
Cividis
Portland
Blackbody
Picnic
RdBu
YlGnBu
YlOrRd
Bluered
Greys
Blues
Reds
Greens
2D-plot:
heatmap
heatmap-GL
contour
contour+heatmap
contourlines
Author:
M.Kriechbaum
, TU-Graz (2018), e-mail:
manfred.kriechbaum@tugraz.at