Dear Cheng-Pin Yen
(just for keeping our mailing list browsable:
you answer to the list, as we were discussing the problem
of setting spin at different orbitals in a desired manner,
and using DMtune to this end:-)
On Tue, 1 Apr 2008, Cheng-Pin Yen wrote:
| Thanks a lot for your helping.
| I will
Dear all :
I have one question about siesta.
I used siesta 2.0 version and system is a Ru
complex(Creutz-Taube ion) which has two redox site on
Ru atom.
One is 4d^6 :
t2g(dxy + dyz + dxz) was supposed to be 6
electrons,
eg(dz2 + dx2-y2) was supposed to be zero .
And the other
Dear all :
I used siesta 2.0 version and system is a Ru
complex(Creutz-Taube ion) which has two redox site on
Ru atom.
One is 4d^6 :
t2g(dxy + dyz + dxz) was supposed to be 6
electrons,
eg(dz2 + dx2-y2) was supposed to be zero .
And the other one is 4d^5 :
t2g was
On Sun, 30 Mar 2008, Cheng Pin Yen wrote:
| Dear all :
| I have one question about siesta.
| I used siesta 2.0 version and system is a Ru
| complex(Creutz-Taube ion) which has two redox site on
| Ru atom.
| One is 4d^6 :
| t2g(dxy + dyz + dxz) was supposed to be 6
| electrons,
|
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