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Offline azamat

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spin
« on: May 30, 2010, 21:15 »
Hello, everyone! Now I meet a problem.
If I sodium atoms in the two probe system as a central atom selected, I must spin for the spin part 0.5, I defined?
 If the gold electrode to act as, well, I must define its spin?
Thank you
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Offline zh

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Re: spin
« Reply #1 on: May 31, 2010, 06:57 »
For Au and Na, it is no necessary to specify their spin. Usually, the typical transition metal such as Ni, Fe, Mn, Cr, V, Co and so, one should carefully check the magnetic state of a system containing such transition metal.
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Offline youngjfly

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Re: spin
« Reply #2 on: May 31, 2010, 10:59 »
hey,budey
sodium doesn't belong to magnetic metal.it doesn't matter whether changing its spin or not.

it doesn't have much influence on transmission.
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Offline youngjfly

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Re: spin
« Reply #3 on: May 31, 2010, 11:02 »
i mean buddy :D
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