Permalink
Fetching contributors…
Cannot retrieve contributors at this time
26 lines (21 sloc) 296 Bytes
# Rename this file to input
# run lrccs from the MADNESS/src/examples/ directory
dft
xc hf
econv 1.e-5
dconv 1.e-4
end
cc2
thresh 3D 1.e-4
tda econv hard 1.e-4
tda dconv hard 1.e-3
tda guess dipole+
end
geometry
he 0.0 0.0 0.0
end
plot
plane x1 x2
origin 0.0 0.0 0.0
zoom 1.0
end