QuantumATK Forum

QuantumATK => Scripts, Tutorials and Applications => Topic started by: r.islam on June 27, 2024, 11:46

Title: Heisenberg Exchange analyzer
Post by: r.islam on June 27, 2024, 11:46

Dear Colleagues,

I am new to QuantumATK version 2023.12 and need help with the Heisenberg exchange coupling parameters. I have run the calculations with the procedure mentioned on the webpage https://docs.quantumatk.com/tutorials/heisenberg_exchange/heisenberg_exchange.html#id21. I am trying to analyze the case.hdf5 file generated after the job. When I run the script "plot_Jij_vs_r.py" I get the error "ModuleNotFoundError: No module named 'nlread' ". My question is how do I import the nlread module during my calculation?

Is there any other way to get the exchange parameter data? I am having similar kind the problem with the build-in HeisenbergExchange analyzer.

Title: Re: Heisenberg Exchange analyzer
Post by: filipr on June 27, 2024, 13:59

You need to run the script with the atkpython executable, not the normal python program.

Title: Re: Heisenberg Exchange analyzer
Post by: r.islam on June 27, 2024, 15:16

Thank you so much.