Exemplo n.º 1
0
#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()
Exemplo n.º 3
0
#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