Dear Karim, Thank you very much,i tested it and everything is ok. I have a question about my last input(that its output was sent),is it wrong?
--- On Thu, 10/20/11, karim rezouali <[email protected]> wrote: From: karim rezouali <[email protected]> Subject: RE: Re : [SIESTA-L] GaN PAO.Basis block To: [email protected] Date: Thursday, October 20, 2011, 2:15 AM Rayhaneh, I said stupid things in the last message. The mistake I made was that I took SZ for Ga3d with 2 radii. I apologize The following basis should work. %block PAO.Basis Ga 3 n=4 0 2 0.000 0.000 1.000 1.000 n=4 1 2 P 1 0.000 0.000 1.000 1.000 n=3 2 1 0.000 1.000 N 2 n=2 0 2 0.000 0.000 1.000 1.000 n=2 1 2 P 1 0.000 0.000 1.000 1.000 %endblock PAO.Basis
