Data for "Many-body theory of positron binding to polyatomic molecules"

Additional data for the publication [J. Hofierka, B. Cunningham, C.M. Rawlins, C.H. Patterson and D. G. Green, "Many-body theory of positron binding to polyatomic molecules", Nature XX, XXXX (2022)]. Note that source data for all figures and extended data figures can be found in the paper. This data set contains a list of input files and a *.tar file of the EXCITON+ code used to generate the results of the paper. An example output file is also included. The code was run on the Kelvin2 Tier-2 UK supercomputing cluster, on 1 to 4 AMD (128CPU, 768GB RAM nodes). Note that the code is not currently well commented nor documented: we intend to detail the EXCITON+ code and its capabilities in a subsequent publication.