Data of "Superconductivity in antiperovskites" by Noah Hoffmann, Tiago F. T. 
Cerqueira, Jonathan Schmidt, and Miguel A. L. Marques

The .tar.gz files include the ground state and electron-phonon calculations 
for inverted perovskites performed with quantum espresso. Due to the large
size of the files, we only preserved the inputs and most important
outputs. The files include the following:

* LDA_TRAINING.tar.gz            LDA calculations for the training set (4x4x4 
                                 q-points) for dynamically stable compounds
* LDA_TRAINING_IMAG.tar.gz       LDA calculations for the training set (4x4x4 
                                 q-points) for dynamically unstable compounds
* LDA_VALIDATION.tar.gz          LDA calculations for the validation set (4x4x4
                                 q-points) for dynamically stable compounds
* LDA_VALIDATION_IMAG.tar.gz     LDA calculations for the validation set (4x4x4 
                                 q-points) for dynamically unstable compounds
* LDA_QPT8.tar.gz                LDA calculations for selected compounds with 
                                 8x8x8 q-points
* PBE_DONE.tar.gz                PBE calculations for selected compounds (4x4x4
                                 q-points) for dynamically stable compounds
* PBE_IMAG.tar.gz                PBE calculations for selected compounds (4x4x4
                                 q-points) for dynamically unstable compounds
* PBE_QPT8.tar.gz                PBE calculations for selected compounds with 
                                 8x8x8 q-points

Note that for some of the compounds with imaginary phonon frequencies, the 
phonon runs were stopped before completing all q-points. The most important
files are:

run_phonons.log     Information on the convergence
scf.in              Input file for the ground-state calculation
geo_opt.out         Output of the geometry optimization run
scf-08.out          Output of the SCF calculation with a 8x8x8 k-grid
scf-24.out          Output of the SCF calculation with a 24x24x24 k-grid
ph.in               Input file for the phonon calculation
ph.out              Output of the phonon calculation. This file may not contain
                    information for all q-points for calculations that had to
                    be restarted
spg221.el-dos       Electronic density of states
spg221.ph-dos       Phonon density of states
spg221.dyn*         Dynamical matrix for each q-point
a2F.dos*            Eliashberg a2F(w) function for each q-point
lambda              Eliashberg lambda calculated for different smearings