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Inside this directory all the initial and final geometries of the systems
under consideration have been supplied.
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DIRECTORY 1: 0Benchmark => aKPOINT_TEST => contains all the initial and 
			 final geometries from our benchmark calculations 
			 on 3x3x1, 5x5x1 and 7x7x1 calcs

			 bSMEARING_3x3x1Kpoints => contains the initial 
			 and final geometries from our calculations on
			 usig the appropriate value of partial occupancy			

DIRECTORY 2: 1Pd111_NH3 => contains all the initial and final geometries of 
			 NH3 adsorption on pristine Pd(111) surface


DIRECTORY 3: 2PdN_NH3  => contains all the initial and final geometries of 
			NH3 adsorption on pristine Pd(111) surface with an
			interstitial N-atom


DIRECTORY 4: 3PdNx =>	contains all the initial and final geometries of
			systems contaning 2, 4, 6 and 12 interstitial N-atoms
			on Pd(111) model.

DIRECTORY 5: 4Diffusion_E_Barrier => contains the images from the CI-NEB 
			calculations 
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