Author Topic: Kinetic Energy Distribution and Extraction of coordinates of Trapped Hydrogen  (Read 3139 times)

0 Members and 1 Guest are viewing this topic.

Offline ashokgrg19

  • Regular QuantumATK user
  • **
  • Posts: 19
  • Country: us
  • Reputation: 0
    • View Profile
Hello Everyone,
I bombarded the hydrogen atom on the tungsten substrate with fixed energy 100eV. I was wondering how to do following post processing things.
1. How to find kinetic energy distribution of  Trapped hydrogens (ONLY) in Tungsten?
2. How to extract the final coordinates of trapped hydrogen atoms?
The attached file is the input file for the simulation, and it gives the coordinates of trapped hydrogen, however I want to extract the coordinates of trapped hydrogen from ".nc " file. which is the output file of simulation.

Any help will be really appreciated.
Thanks,
Ashok