QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: ams_nanolab on June 24, 2015, 10:52

Title: JDOS and optical transition
Post by: ams_nanolab on June 24, 2015, 10:52

Is it possible to compute the joint density of states (JDOS) in low-dimensional systems such as 2D slabs, 1D nanowires in ATK?

In fact it would be very helpful to have a python script for such calculation (from the optical spectra).

Also is there any way of knowing the K points involved in optical transitions in such systems from DOS/ PDOS data?
 

Title: Re: JDOS and optical transition
Post by: Umberto Martinez on June 25, 2015, 12:55

Unfortunately there is no build in analysis to calculate JointDOS in VNL/ATK.
As you suggest you will need a script for that.
You can follow the hints provided here: http://quantumwise.com/forum/index.php?topic=3418.msg15627#msg15627

Title: Re: JDOS and optical transition
Post by: ams_nanolab on June 26, 2015, 11:35

Thanks ... got it  ;)