Dear Siesterers I keep coming across entries in the archive for bases optimised for a particular element in a particular environment (e.g H in C6H6)
How is this done? My understanding of the basis generation method was that it was done for an isolated atom of that element (Sankey) I cant figure how this procedure can then be made specific to a particular environment - or am I misunderstanding previous posts? With thanks Ian Shuttleworth
