My systems consist around 4000 Si atoms. Would KWANT be capable of handling such a system when my computational resources are limited to 64GB of memory?
Note: I am studying the thermal properties across Si nanoparticle junctions for my postgraduate research. Even though I am interested in looking into the electrical properties in these structures as well, it is my understanding that DFT codes such as Quantum Espresso and VASP are the most commonly used programs for this type of application. However, as a single Si nanoparticle junction would contain around 4000 atoms (5nm diameter nanoparticle), these DFT based approaches are not feasible considering the fact that I have access to limited computational resources.
This is when I came across the KWANT package which appears to be capable of handling such systems. However, I would like to confirm the following before I dive in and spend my time studying the software package. I would appreciate any helpful replies in this regard.