H - Atomic Total Energy  
================ 

In this directory we perform a standard self-consistant calculation 
wherein we will calculate the total energy of a single H, within the GGA (PBE). 

1. Submit the calculation with `sbatch run-H-Energy.sh`.

2. While the calculation is running take a look at the input file for QE, 
   `pw.scf.H.in` and the pseudopotential 'H_ONCV_PBE-1.2.upf'. 
   What functional, pseudopotential type, cutoff, are being used?  
   Look for input flags described in the QE manual.

3. After the run finishes check the ENERGY.out file and look at the 
   data given shown, how did we get it? 

4. Now proceed to `../2-H_2-singlet`
