#D3d+T: Bi2Se3 or MnBi2Te4_AFM from model_hamiltonian.pgroup.get import get_data from model_hamiltonian.pgroup import query from model_hamiltonian.model_hamiltonian import simple_calc, energy import multiprocessing import sympy as sp import time try_parallel = True gname = "C3v" Info = get_data(TR=True)[gname] print(Info["genes"]) multi_orbs_with_arr = [] multi_orbs_with_arr.append([['p, 3/2, 1/2', 'p, 3/2, -1/2'], [1,1]]) order_list = [0, 1, 2] #similar_trans = sp.Matrix([[1,0,0,0],[0,0,1,0],[0,1,0,0],[0,0,0,1]] # )*sp.diag(1, sp.simplify("I"), 1, -sp.simplify("I")) #------------------------------------------------------------------------------- if "bandchars" not in locals(): bandchars = [] if "multi_orbs_with_arr" not in locals(): multi_orbs_with_arr = [] if "similar_trans" not in locals(): similar_trans = False start_time = time.time() if try_parallel: cores = multiprocessing.cpu_count() try:
#D3d+T: Bi2Se3 or MnBi2Te4_AFM from model_hamiltonian.pgroup.get import get_data from model_hamiltonian.pgroup import query from model_hamiltonian.model_hamiltonian import simple_calc, energy import multiprocessing import sympy as sp import time try_parallel = True gname = "D3d" Info = get_data(TR=True)[gname] print(Info["genes"]) multi_orbs_with_arr = [] multi_orbs_with_arr.append([['pz'], [1,-1,-1]]) multi_orbs_with_arr.append([['pz'], [1,1,1]]) order_list = [0, 1, 2] # similar_trans = sp.Matrix([[1,0,0,0],[0,0,1,0],[0,1,0,0],[0,0,0,1]] # )*sp.diag(1, sp.simplify("I"), 1, -sp.simplify("I")) #------------------------------------------------------------------------------- if "bandchars" not in locals(): bandchars = [] if "multi_orbs_with_arr" not in locals(): multi_orbs_with_arr = [] if "similar_trans" not in locals(): similar_trans = False start_time = time.time() if try_parallel: cores = multiprocessing.cpu_count()
#S6+C2(x)T: MnBi2Se4_FM from model_hamiltonian.pgroup.get import get_data from model_hamiltonian.pgroup import query from model_hamiltonian.model_hamiltonian import simple_calc, show_result import multiprocessing import sympy as sp import time result_pattern = "i" #"i" kz_zero = False ## True for xy surface pretty_print = True try_parallel = True gname = "D3d" Info = get_data(TR=True)[gname] print(Info["genes"]) multi_orbs_with_arr = [] multi_orbs_with_arr.append([['px', 'py'], [1, -1, -1]]) #multi_orbs_with_arr.append([['p, 3/2, 1/2', 'p, 3/2, -1/2'], [1,1,1]]) order_list = [0, 1, 2] # similar_trans = sp.Matrix([[1,0,0,0],[0,0,1,0],[0,1,0,0],[0,0,0,1]] # )*sp.diag(1, sp.simplify("I"), 1, -sp.simplify("I")) # similar_trans = sp.Matrix([[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]] # )*sp.diag(1, 1, sp.simplify("I"), -sp.simplify("I")) #------------------------------------------------------------------------------- if "bandchars" not in locals(): bandchars = [] if "multi_orbs_with_arr" not in locals(): multi_orbs_with_arr = [] if "similar_trans" not in locals(): similar_trans = False