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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 = 384
ny = 384
sx = 128.0
sy = 128.0
v0 = 0.0
end
pot
begin
pot = ( plane, 10.0, -16.0, -10.0, -16.0, -9.81, 0.0, 0.0 )
pot = ( circle, 0.0, -9.5, 5.71, -9.81, 0.0, 0.0 )
pot = ( circle, 0.0, -9.5, 4.29, 0.0, 0.0, 0.0 )
pot = ( circle, 0.0, 3.0, 5.71, -9.81, 0.0, 0.0 )
pot = ( plane, -10.0, 2.7, 10.0, 2.7, -9.81, 0.0, 0.0 )
end
psi0
begin
xi = 0.0
yi = 14.0
ax = 5.0
ay = 5.0
ekin = 5.0
angle = -90.0
d1x = 0.0
d1y = 0.0
d2x = 0.0
d2y = 0.0
bx = 0.0
by = 0.0
end
parameters
begin
nt = 801
dt = 0.25
ki_rho = 40
nstat = 3
end
