emscripten

Lattice Dynamics

LD Source: etomica-cpp

Parameters

Number of cells: × × (32 atoms)

Crystal: # of atoms

Cell size

x	y	z

Basis positions

Atom	x	y	z
0
1
2
3

Density:
Potential: Power:

Provide each potential quantity as a function of r² (Javascript syntax)

u =
r(du/dr) =
r²(d²u/dr²) =

Truncation type:

Cutoff:

Results

Lattice Sum

Eigenvalues

U_lat/N:
(1/2N)Σln(evals):

Smearing width (ω): Resolution (ω):

Info

All info: