Open vhjbhc opened 20 hours ago
Hello, author, I want to repeat the example of GaN in your article, There's a problem here: sampling_settings = {
"total_sweeps": 10,
"sweep_size": 64,
start_temp: 0.1, # in terms of kbT
"perform_annealing": False,
"alpha": 1.0, # no annealing
"canonical": True,
"num_ads_atoms": 50,
"require_distance_decay": True,
"require_per_atom_energies": True,
"adsorbates": ["Si"],
"run_folder": run_folder,}
Do I need to change the total_sweeps value here to 500,Then I don't need to change any other parameters.Thank you!
Hi, you might be following the Si example. Please check out the GaN example here: tutorials/GaN_0001.ipynb. And yes, please change total_sweeps to 500.
total_sweeps
Thank you very much!
Hello, author, I want to repeat the example of GaN in your article, There's a problem here: sampling_settings = {
"total_sweeps": 10,
"sweep_size": 64,
start_temp: 0.1, # in terms of kbT
"perform_annealing": False,
"alpha": 1.0, # no annealing
"canonical": True,
"num_ads_atoms": 50,
"require_distance_decay": True,
"require_per_atom_energies": True,
"adsorbates": ["Si"],
"run_folder": run_folder,}
Do I need to change the total_sweeps value here to 500,Then I don't need to change any other parameters.Thank you!