
Supporting datasets for "Prospects of forming high-spin polar molecules from
ultracold atoms", to be published in Physical Review X, preprint available from
arXiv:1910.09641.

Directory 'Code' contains plug-in routines for the MOLSCAT package (available
from http://github.com/molscat) to enable calculations on systems in which an
open-shell atom with orbital angular momentum and electron spin interacts with
a closed-shell atom in a singlet-S state. The open-shell atom is handled with
Russell-Saunders (LS) coupling. Both the plug-in basis-set suite (BASE9) and
the potential routine (VSTAR) are included.

Directory 'Example_input_output' contains input and output files for MOLSCAT
and BOUND for Dy+Yb, for both long-range and short-range anisotropy.

Directory 'Potentials' contains calculated scattering lengths and bound states
for different potentials for Dy+Yb and for Er+Sr, as shown in Figures 1 and 2
of the main paper, and Figures 2-4, 6-11, and 13-18 of Supplemental Material.
Filenames specify the system, type of anisotropy, an index for the potential,
and the type of results. The potentials have long-range anisotropy with
C_6^(2)/C_6^(0)=0.017 (lr), long-range anisotropy with C_6^(2)/C_6^(0)=0.0085
(lrh), or short-range anisotropy (sr). Three examples are given for each type
of potential.  The files of scattering lengths (sc) contain 2 columns: magnetic
field in Gauss and scattering lengths in Angstroms.  The files of bound states
(bd) contain 3 columns: magnetic field in Gauss, bound-state number, and energy
in MHz.

We also include the specification of each potential as a *.pot file. These
contain a namelist input block for the corresponding calculation input files,
which should be interpreted in conjunction with vstar-1S_L_at.f in the Code
directory.

Directory 'Excited_Thresholds' contains calculated scattering lengths for
excited thresholds, as shown in Figure 3 of the main paper, and Figures 19-26
of Supplemental Material. The files are labelled by their type of anisotropy as
above and also by the sign (p/m) and magnitude of m_j. The files contain 3
columns: magnetic field in Gauss, real part of the scattering length in
Angstroms, and the absolute value of the imaginary part of the scattering
length in Angstroms. Files specifying the potentials are also given.

Directory 'Stats' contains lists of calculated resonance parameters. The files
are labelled by their type of anisotropy as above and there are 100 examples
for each type. The files contain 4 columns: bound-state for the state that
causes the resonance, magnetic field of the resonance B_res in Gauss, the
product a_bg*Delta in Angstrom*Gauss, and a_bg in Angstrom. Files specifying
all the potentials are also given.

The subdirectory 'Stats/Code' contains the python code 'run.py' which sets up
and runs FIELD and MOLSCAT calculations to locate and characterise the
resonances, parses the output, iterates the procedure if necessary, and
collates the results. This is provided as is and undocumented. Examples of
reference FIELD and MOLSCAT input files that are required by this script are
also provided.
