Re: [SIESTA-L] How to specify PAO.Basis manually?

Dear Ruslan Zhachuk, I'm not the right person to get this question clearly answered, since i'm still at a newbie level, but if you look at professor Andrei Postnikov's excellent tutorial at page 5, you'll get more hints. The tutorial is at

[SIESTA-L] How to specify PAO.Basis manually?

Dear Siesta users, I had Sr atom (2 valence s-electrons) with DZP basis set. This results in following basis: %block PAO.Basis # Define Basis set Sr-adatom 1# Species label, number of l-shells n=5 0 2 P 1 # n, l, Nzeta,