CONTCAR_2005_GP/TS		gasphase / transition state geometry on the 
				slab optimized with paw2005

CONTCAR_20012005_GP		gasphase / transition state geometry on the
				generated with paw2001 and optimized with paw 2005

the barrier height computed for the slab genrated and relaxed with paw2001 has been 
taken from previous work in the group ( doi = 10.1063/1.4939520 )