Directories contain QE input and output files 
for gas-phase (gp) and transition state (ts)
calculations.

Note that libxc was employed for all functionals.
For the SRP32-vdW calculations, we have used a 
modified libxc version, where the SRP0.32-vdW 
exchange was hard-coded in place of the revPBE 
exchange functional (modified libxc version is
provided).