QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: namrata on January 31, 2010, 08:30

Title: how to print LDOS ?
Post by: namrata 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

Title: Re: how to print LDOS ?
Post by: zh 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.

Title: Re: how to print LDOS ?
Post by: namrata 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 !

Title: Re: how to print LDOS ?
Post by: zh on February 15, 2010, 03:09

Quote from: namrata on February 12, 2010, 11:30

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 (http://quantumwise.com/forum/index.php?topic=69.0)

Title: Re: how to print LDOS ?
Post by: namrata 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?

Title: Re: how to print LDOS ?
Post by: zh on February 26, 2010, 06:38

Quote from: namrata on February 22, 2010, 11:35

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.