FILES:

All folders contain an input.txt with format:

system name
number of modes
mode1 etc

And th.out with format
{Temperature} {Helmholtz vibrational energy} {Entropy} {Vibrational energy} {Zero point energy}

Where Raman calculation were also performed additional files vasp_raman.dat
{mode} {freq(cm-1)} {alpha} {beta2} {activity}

and raw.dat/norm.dat where Gaussians are fitted to Raman active modes indicated in vasp_raman.dat.  In norm.dat these are normalised by the maximum value.
