Program Used: PWSCF v.5.0.1 from the QuantumEspresso Suite

Last update Feb 01, 2014

Files and Folders:
SCF-Energies.csv  # A excel csv file of all the SCF energies from IGZO_Input_and_Log_Files
Pseudopotentials  # Contains the psuedopotentials used
   |
    -> Ga.pbe-dn-rrkjus.UPF
    -> In.pbe-dn-rrkjus.UPF
    -> O.pbe-n-rrkjus.UPF
    -> Zn.pbe-dn-rrkjus.UPF
IGZO_Input_and_Log_Files  # Folder containing all the IGZO single point jobs
   |
    -> IGZO-001-1-1_-17.7143.QuantumEspresso  # The first InGaZnO in the stoiciometry In0Ga0Zn1O1 with a -17.7143 charge
    -> ...
    -> IGZO-999-36-5_8.85714.QuantumEspresso  # The fifth InGaZnO in the stoiciometry In9Ga9Zn9O36 with a 8.85714 charge
         |
          -> IGZO-999-36-5_8.85714.log  # log file for the single point calculation
          -> IGZO-999-36-5_8.85714.qe   # input file that generated the output log Files