Ooops !, I meant 5s2 5p6 5d10 5f0, namely, Au(+1). R.
On Mon, 4 Jun 2012, R.C.Pasianot wrote:
Hi Priyanka, You cannot generate a pesudo with two different "s" channels using the Atom code bundled with Siesta. You could, instead, generate an ionic pseudo, like 5s2 5p6 5d10 4f0.
