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 = 384
ny = 384
sx = 203.204
sy = 203.204
v0 = 0
end
pot
begin
pot = ( rectangle , 0.2646, 0.0, 0.530, 90.0, 0.0, 9.81, 0.0, 0.0, 0.0, 0.0, 0.0 )
pot = ( rectangle , 5.5564, 0.0, 0.530, 90.0, 0.0, 9.81, 0.0, 0.0, 0.0, 0.0, 0.0 )
pot = ( rectangle , -5.027, 0.0, 0.530, 90.0, 0.0, 9.81, 0.0, 0.0, 0.0, 0.0, 0.0 )
pot = ( rectangle , 10.848, 0.0, 0.530, 90.0, 0.0, 9.81, 0.0, 0.0, 0.0, 0.0, 0.0 )
pot = ( rectangle , -10.319, 0.0, 0.530, 90.0, 0.0, 9.81, 0.0, 0.0, 0.0, 0.0, 0.0 )
pot = ( rectangle , 16.140, 0.0, 0.530, 90.0, 0.0, 9.81, 0.0, 0.0, 0.0, 0.0, 0.0 )
pot = ( rectangle , -15.611, 0.0, 0.530, 90.0, 0.0, 9.81, 0.0, 0.0, 0.0, 0.0, 0.0 )
end
psi0
begin
xi = -47.6259
yi = 0.0
ax = 20.0
ay = 20.0
ekin = 10.6124
angle = 0.0
d1x = -0.02
d1y = -0.02
d2x = 0.02
d2y = 0.02
bx = 0
by = 0
end
parameters
begin
nt = 811
dt = 0.3
ki_rho = 30
nstat = 3
end
