This folder reports calculations performed for the work 
https://arxiv.org/abs/1901.02251 by T. Binninger, A. Marcolongo, M. Mottet, V. Weber and T. Laino [1]
regarding the comparison between the stable stoichiometry method and the phase stability method at the hybrid and PBE 
level of theory.

Folder structure:

Material/stoichio/[pbe,hse]/[N,N+1,N-1] 

contains input-output for stoiochio method at the desidered level of theory [pbe,hse] for 
stochiometric [N], superstoichiometry [N+1] and substoichiometric materials [N-1]. The calculatons are performed using QuantumEspresso.

For LLZO we report the phase stability computations for the reduction products, identified by previous PBE analysis as described in [1]
, in folder:

LLZO/phase/material/[pbe,hse]

The directory pseudo reports the pseudoptentials used for the calculations.