In this folder:

- Extensive NPT-CP-MD runs for t-LGPS, o-LGPS, t-LGPO, o-LGPO at the temperatures and in the cells studied.
  For each run we report:
  1) the cell trajectory (file *.cel: the cell matrix at each timestep; each column is a cell vector);
  2) some thermodynamic quantities (file *.evp, whose lines are:  nstep  time(ps)  ekinc(a.u.)  Tcell(K)  Tion(K)  etot(a.u.)  enthal(a.u.)  econs(a.u.)  econt(a.u.)  Volume(a.u.)  Pressure(GPa)). 
  3) the input structure (file *.in)
  For a better explanation of these files, see the Quantum Espresso documentation (e.g., https://www.quantum-espresso.org/Doc/INPUT_CP.html).

- Short NPT-CP-MD runs for t-LGPS and o-LGPO with different barostat masses.