Hi Roberto,
I think your only option is to use the DM.InitSpinAF and DM.InitSpin
block.
Take a look at the manual in:
http://www.uam.es/departamentos/ciencias/fismateriac/siesta/
manual-2.0/node18.html#2854
Regards,
Eduardo
On 09/10/2007, at 22:03, Roberto Veiga wrote:
Hi:
I'm gonna do some spin polarized calculations in which molecular
oxygen is adsorbed onto a surface. I'd like to know how to represent
triplet oxygen (as initial state) in the Siesta's input.
Regards,
Roberto
--
"If I have seen farther than others it is because of a myopia
surgery."
