QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: yangzw1985 on October 27, 2009, 09:27

Title: About PDOS
Post by: yangzw1985 on October 27, 2009, 09:27

Hi, everyone!  As we can see, most of papers are talk about PDOS, but in VNL, we can just calculate DOS or/and LDOS for two probe model. Moreover, LDOS can be calculated for different energies. when I read the paper published in Nano Letters titled :Doping Molecular Wires, Vol9, No7,2559-2564,2009. I don't know how the PDOS shown in Figure 3.(a) and Figure 5 be calculated.  Can anyone tell me how to got the PDOS picture for a two probe model?

Title: Re: About PDOS
Post by: Anders Blom on October 27, 2009, 09:46

Have a look at http://quantumwise.com/forum/index.php?topic=69.0

Upcoming versions of ATK and VNL will have a much more developed functionality for various projections of the DOS.