Author Topic: how to print LDOS ?  (Read 7138 times)

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Offline namrata

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how to print LDOS ?
« on: January 31, 2010, 08:30 »
hello everyone ,
like we get the values of DOS for given energies using nlPrint command why dont we get the values of LDOS for the given energy by using the same command.
or in general how to obtain the values of LDOS for desired energy  ???
namrata

Offline zh

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Re: how to print LDOS ?
« Reply #1 on: January 31, 2010, 13:22 »
You should understand the definition of LDOS as well as  the difference between LDOS and total DOS. The definition of LDOS can be found in the manual of ATK.





Offline namrata

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Re: how to print LDOS ?
« Reply #2 on: February 12, 2010, 11:30 »
hi zh ,
thanks for ur suggestion .
but i want to know how to plot LDOS for particular atoms to obtain graphs as results shown in
volume 62, number 6 physical review B .
 in particular i want to know how and where to specify the position for which LDOS is to be calculated in the calculate LDOS function in atk.
please help !

Offline zh

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Re: how to print LDOS ?
« Reply #3 on: February 15, 2010, 03:09 »
but i want to know how to plot LDOS for particular atoms to obtain graphs as results shown in
volume 62, number 6 physical review B . 
which page?

The LDOS usually refers to spatial resolved DOS. The atom-projected DOS is usually called as partial DOS, For this kind of DOS, the wave function should be projected on a given atomic orbital. You may refers to the discussion on the following link:
http://quantumwise.com/forum/index.php?topic=69.0



Offline namrata

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Re: how to print LDOS ?
« Reply #4 on: February 22, 2010, 11:35 »
thanks for ur reply zh
i m referring page 5 in the paper majority and minority spin density of states referred to as LDOS for layers . how want to know can we do it in atk and how?

Offline zh

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Re: how to print LDOS ?
« Reply #5 on: February 26, 2010, 06:38 »
i m referring page 5 in the paper majority and minority spin density of states referred to as LDOS for layers .
It is hard to understand your question. Could you state it more clearly?
Do you mean the layer-projected DOS?
Once the atom-projected DOS is obtained, layer-projected DOS can be obtained by summing up the atom-projected DOS in a way of layer-by-layer.