Computational Lab 2

Calculation of Pt38

Click here to go back to Lab 2 You will compare stability of this 38-atoms nano particle against the 32-atoms nano particle you just simulated.
The directory containing everything you need is /home/fri/lab_files_2022/lab2/pt38. Copy it over to your ~/lab2/
The procedure for calculating cohesive energy of any nano-particle is the same. Refer to Job set up and submission and Post submission analysis of Pt32. for the detailed procedures.
This Pt38 nano particle is a truncated octahedron. It looks like this: (this figure is also interactive!)