Untitled Document
Web-Schrödinger 3.31
(C)2007-2022 G. I. Márk, Ph. Lambin, L. P. Biró, EK MFA Budapest,Hungary -- Uni Namur, Belgium
www.nanotechnology.hu
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Web-Schrodinger 3.3
header
begin
date = a_datum
time = az_ido
end
mesh
begin
nx = 256
ny = 256
sx = 76.8
sy = 76.8
v0 = 0
end
pot
begin
pot = ( rectangle, -3.0, 20.0, 10.0, 1.0, 60.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0 )
pot = ( rectangle, 3.0, 20.0, 10.0, 1.0, -60.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0 )
pot = ( circle, 0.0, 27.0, 2.0, 2.0, 0.0, 0.0 )
pot = ( rectangle, -6.0, 11.0, 15.0, 1.0, 50.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0 )
pot = ( rectangle, 6.0, 11.0, 15.0, 1.0, -50.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0 )
pot = ( rectangle,-13.0, 0.0, 20.0, 1.0, 40.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0 )
pot = ( rectangle, 13.0, 0.0, 20.0, 1.0, -40.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0 )
pot = ( rectangle, 0.0, -8.0, 40.0, 1.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0 )
pot = ( rectangle, 0.0,-11.0, 2.0, 4.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0 )
end
psi0
begin
xi = 0.0
yi = -28.8
ax = 5.0
ay = 5.0
ekin = 5.0
angle = 90.0
d1x = -10.0
d1y = -0.01
d2x = 10.0
d2y = 0.01
bx = 28.8
by = 0.0
end
parameters
begin
nt = 901
dt = 0.2
ki_rho = 100
nstat = 3
end
