# # CATLOW -library of potentials for GULP # # from JR Walker and CRA Catlow, Solid State Ionics 1 1979 # # Note: # (ii) check core charges and cutoffs as they may not be # those which were published # species Li core 1.000 N core -3.000 buckingham Li core Li core 916.53970 0.14270 0.00 Li core N core 284.03968 0.40288 0.00 N core N core 22134.37201 0.31062 1933.67052