pythonUni-HamiltonianPredictor.py --configInput.yaml error #84
Description
Dear Dr. ZY,
I encountered an error when using the uni-hamgnn model. When running pythonUni-HamiltonianPredictor.py --configInput.yaml, it reported that the path for SOC could not be found. However, during your presentation at the first Materials Simulation Software Seminar, you mentioned that if the SOC effect is not considered, in the Input.yaml file, "Null" would suffice. Now that I am facing this error and am unsure of how to resolve it, I hope to receive your assistance.
Attached below are the screenshot of my error report and the screenshot of the Input.yaml file.
Best,
HuangJunxi
shanghai university
