README — Data for Near-threshold Bound States of Rb + KRb
This directory contains the data required to reproduce the figures in the 
manuscript: “Near-threshold Bound States of Rb + KRb”.

Figure 1 — Adiabatic Potential Curves:
	adiabats_aph.dat
	Adiabatic potential curves calculated using the APH formalism.
	Column 1: Hyperradius R in atomic units (au).
	Columns 2+: Adiabatic energies in Kelvin.
	Used for the upper panel of Fig. 1.

	adiabats_molscat.dat
	Adiabatic potential curves calculated using MOLSCAT.
	Column 1: Jacobi coordinate R in atomic units (au).
	Columns 2+: Adiabatic energies in atomic units (au).
	Used for the lower panel of Fig. 1.

Figure 2 - Density of States:
	dos.dat
	node-count as a function of energy.
	Energy is given in eV measured from the bottom of the well.
	To shift the zero of energy to threshold, subtract: 0.004590527492 eV.

Figure 3:
	RbKRb_BoundStates.dat 
	The node count and corresponding bound state energies (in GHz) for the full well used in the Brody analysis.
	This file also contains the MOLSCAT input used to generate the bound-state data in the header.

Figure 4 — Level Statistics and Scaling Analysis:
  The files RbKRb_BoundStates_SCALAM?.dat contain are of the same form as RbKRb_BoundStates.dat, but for different scaling parameters given in each file. 

Figure 5:
  scaling.dat
	Bound state energies for the top bin in GHz as a function of scaling parameter.
	When there are fewer than 3 bound states in the top bin the energy is given as +1.0

Figure 6 - Radial wavefunction density:
	The WAVEFUNCTIONS/ directory contains the MOLSCAT output file in RbKRb.out 
	Along with the radial wavefunction density data for state i in state_i_summed.dat
	Column 1: R in atomic units (au).
	Column 2: Radial wavefunction density in 1/au 

  The specific files plotted are:

	Energy = -10 MHz
		SCALAM_0.9952813250273106/state_7255_summed.dat
		SCALAM_0.9998442759604349/state_7288_summed.dat
		SCALAM_1.0043326723078312/state_7320_summed.dat
	Energy = -44 MHz
		SCALAM_0.9954054307129304/state_7255_summed.dat
		SCALAM_0.99999999997437/state_7288_summed.dat
		SCALAM_1.0/state_7288_summed.dat
		SCALAM_1.0043450516938233/state_7320_summed.dat
	Energy = -110 MHz
		SCALAM_0.9954272370772673/state_7255_summed.dat
		SCALAM_1.0001327703830263/state_7288_summed.dat
		SCALAM_1.0001328/state_7288_summed.dat
		SCALAM_1.0044445560740067/state_7320_summed.dat

Figures 7 and 8
	top_three_bins.dat
	the bound state energies in MHz for the top three bins as a function of the scaling parameter

Figure 9:
  WAVEFUNCTIONS_LAMBDA1/state_????_summed.dat
	The radial wavefunction density data for state i in state_i_summed.dat
	Column 1: R in atomic units (au).
	Column 2: Radial wavefunction density in 1/au 
	The corresponding energies are in RbKRb_BoundStates.dat
