Virtual NanoLab (without ATK) is free (https://quantumwise.com/products/vnl#Free_VNL).

The free VNL license for academics does not include the ATK-DFT, ATK-SE, ATK-VASP, and the ATK-FHIAims packages. So you can only used it to perform the classical MD simulation.

What's more, the free VNL license is TEMPORARY UNAVAILABLE.

What is the price for single user license?

For academic perpetual license for version 2015,

a) Single user Advanced (parallel license for workstation DFT/SE): 12000 USD (2 runs in parallel on up to 7 cores each on your workstation for single user)

b) Cluster license Basic: 20000 USD (3 runs in parallel)

c) Cluster license Advanced: price on asked

These are just a sample of our pricing, we can arrange the package to fit various budgets or machine configurations. Perhaps you can also let us know what is your budget and I can find the best match. For example if there is a budget constrain, we can arrange for a basic non parallel serial license for something much cheaper or a simple single parallel license for 7700 USD.

As you can see its very expensive.

Thanks Hassan

I wander whether the Virtual Crystal approximation can be managed or not on the free ATK software?