三角晶格潜在磁阻挫构型下的奈尔温度计算问题

[HiHfJj]

刘博您好！我最近在模拟一个二维三角晶格的奈尔温度，不知道是不是潜在磁阻挫的原因，导致计算出的数据是离散的，并不能得出最终的临界温度，找了很久都没有发现问题出在哪，所以想麻烦刘博帮忙解疑。祝刘博万事胜意，心想事成！
下面是我的输入文件：
This is mcsolver's save file, version: 3.0
Lattice:
7.353310000 0.000000000 0.000000000
0.000000000 7.353310000 0.000000000
0.000000000 0.000000000 27.37097000
Supercell used in MC simulations:
32 32 1
Orbitals in cell:
8
Positions, initial spin states and onsite-anisotropy of every orbital:
orb 0: type 0 spin 2.000000000 pos [0.332160000 0.167840000 0.476920000] Dx 0.000000000 Dy 0.000000000 Dz -3.599314539 h 0.000000000
orb 1: type 0 spin -2.000000000 pos [0.332160000 0.667840000 0.476920000] Dx 0.000000000 Dy 0.000000000 Dz -3.599314539 h 0.000000000
orb 2: type 0 spin -2.000000000 pos [0.832160000 0.167840000 0.476920000] Dx 0.000000000 Dy 0.000000000 Dz -3.599314539 h 0.000000000
orb 3: type 0 spin 2.000000000 pos [0.832160000 0.667840000 0.476920000] Dx 0.000000000 Dy 0.000000000 Dz -3.599314539 h 0.000000000
orb 4: type 0 spin -2.000000000 pos [0.332160000 0.167840000 0.632860000] Dx 0.000000000 Dy 0.000000000 Dz -3.599314539 h 0.000000000
orb 5: type 0 spin 2.000000000 pos [0.332160000 0.667840000 0.632860000] Dx 0.000000000 Dy 0.000000000 Dz -3.599314539 h 0.000000000
orb 6: type 0 spin 2.000000000 pos [0.832160000 0.167840000 0.632860000] Dx 0.000000000 Dy 0.000000000 Dz -3.599314539 h 0.000000000
orb 7: type 0 spin -2.000000000 pos [0.832160000 0.667840000 0.632860000] Dx 0.000000000 Dy 0.000000000 Dz -3.599314539 h 0.000000000
Bonds:
28
id, source, target, overLat, exchange matrix elements of each bond:
bond 0: Jx 212.63983900 Jy 212.644307700 Jz 212.229873600 Jxy 0.000000000 Jxz 0.000000000 Jyz 0.000000000 Jyx 0.000000000 Jzx 0.000000000 Jzy 0.000000000 orb 0 to orb 1 over [0 0 0]
bond 1: Jx 212.63983900 Jy 212.644307700 Jz 212.229873600 Jxy 0.000000000 Jxz 0.000000000 Jyz 0.000000000 Jyx 0.000000000 Jzx 0.000000000 Jzy 0.000000000 orb 0 to orb 1 over [0 -1 0]
bond 2: Jx 212.63983900 Jy 212.644307700 Jz 212.229873600 Jxy 0.000000000 Jxz 0.000000000 Jyz 0.000000000 Jyx 0.000000000 Jzx 0.000000000 Jzy 0.000000000 orb 0 to orb 2 over [0 0 0]
bond 3: Jx 212.63983900 Jy 212.644307700 Jz 212.229873600 Jxy 0.000000000 Jxz 0.000000000 Jyz 0.000000000 Jyx 0.000000000 Jzx 0.000000000 Jzy 0.000000000 orb 0 to orb 2 over [-1 0 0]
bond 4: Jx 212.63983900 Jy 212.644307700 Jz 212.229873600 Jxy 0.000000000 Jxz 0.000000000 Jyz 0.000000000 Jyx 0.000000000 Jzx 0.000000000 Jzy 0.000000000 orb 0 to orb 3 over [0 0 0]
bond 5: Jx 212.63983900 Jy 212.644307700 Jz 212.229873600 Jxy 0.000000000 Jxz 0.000000000 Jyz 0.000000000 Jyx 0.000000000 Jzx 0.000000000 Jzy 0.000000000 orb 0 to orb 3 over [-1 -1 0]
bond 6: Jx 212.63983900 Jy 212.644307700 Jz 212.229873600 Jxy 0.000000000 Jxz 0.000000000 Jyz 0.000000000 Jyx 0.000000000 Jzx 0.000000000 Jzy 0.000000000 orb 1 to orb 3 over [0 0 0]
bond 7: Jx 212.63983900 Jy 212.644307700 Jz 212.229873600 Jxy 0.000000000 Jxz 0.000000000 Jyz 0.000000000 Jyx 0.000000000 Jzx 0.000000000 Jzy 0.000000000 orb 1 to orb 3 over [-1 0 0]
bond 8: Jx 212.63983900 Jy 212.644307700 Jz 212.229873600 Jxy 0.000000000 Jxz 0.000000000 Jyz 0.000000000 Jyx 0.000000000 Jzx 0.000000000 Jzy 0.000000000 orb 2 to orb 3 over [0 0 0]
bond 9: Jx 212.63983900 Jy 212.644307700 Jz 212.229873600 Jxy 0.000000000 Jxz 0.000000000 Jyz 0.000000000 Jyx 0.000000000 Jzx 0.000000000 Jzy 0.000000000 orb 2 to orb 3 over [0 -1 0]
bond 10: Jx 212.63983900 Jy 212.644307700 Jz 212.229873600 Jxy 0.000000000 Jxz 0.000000000 Jyz 0.000000000 Jyx 0.000000000 Jzx 0.000000000 Jzy 0.000000000 orb 1 to orb 2 over [0 1 0]
bond 11: Jx 212.63983900 Jy 212.644307700 Jz 212.229873600 Jxy 0.000000000 Jxz 0.000000000 Jyz 0.000000000 Jyx 0.000000000 Jzx 0.000000000 Jzy 0.000000000 orb 1 to orb 2 over [-1 0 0]
bond 12: Jx 212.63983900 Jy 212.644307700 Jz 212.229873600 Jxy 0.000000000 Jxz 0.000000000 Jyz 0.000000000 Jyx 0.000000000 Jzx 0.000000000 Jzy 0.000000000 orb 4 to orb 5 over [0 0 0]
bond 13: Jx 212.63983900 Jy 212.644307700 Jz 212.229873600 Jxy 0.000000000 Jxz 0.000000000 Jyz 0.000000000 Jyx 0.000000000 Jzx 0.000000000 Jzy 0.000000000 orb 4 to orb 5 over [0 -1 0]
bond 14: Jx 212.63983900 Jy 212.644307700 Jz 212.229873600 Jxy 0.000000000 Jxz 0.000000000 Jyz 0.000000000 Jyx 0.000000000 Jzx 0.000000000 Jzy 0.000000000 orb 4 to orb 6 over [0 0 0]
bond 15: Jx 212.63983900 Jy 212.644307700 Jz 212.229873600 Jxy 0.000000000 Jxz 0.000000000 Jyz 0.000000000 Jyx 0.000000000 Jzx 0.000000000 Jzy 0.000000000 orb 4 to orb 6 over [-1 0 0]
bond 16: Jx 212.63983900 Jy 212.644307700 Jz 212.229873600 Jxy 0.000000000 Jxz 0.000000000 Jyz 0.000000000 Jyx 0.000000000 Jzx 0.000000000 Jzy 0.000000000 orb 4 to orb 7 over [0 0 0]
bond 17: Jx 212.63983900 Jy 212.644307700 Jz 212.229873600 Jxy 0.000000000 Jxz 0.000000000 Jyz 0.000000000 Jyx 0.000000000 Jzx 0.000000000 Jzy 0.000000000 orb 4 to orb 7 over [-1 -1 0]
bond 18: Jx 212.63983900 Jy 212.644307700 Jz 212.229873600 Jxy 0.000000000 Jxz 0.000000000 Jyz 0.000000000 Jyx 0.000000000 Jzx 0.000000000 Jzy 0.000000000 orb 5 to orb 7 over [0 0 0]
bond 19: Jx 212.63983900 Jy 212.644307700 Jz 212.229873600 Jxy 0.000000000 Jxz 0.000000000 Jyz 0.000000000 Jyx 0.000000000 Jzx 0.000000000 Jzy 0.000000000 orb 5 to orb 7 over [-1 0 0]
bond 20: Jx 212.63983900 Jy 212.644307700 Jz 212.229873600 Jxy 0.000000000 Jxz 0.000000000 Jyz 0.000000000 Jyx 0.000000000 Jzx 0.000000000 Jzy 0.000000000 orb 6 to orb 7 over [0 0 0]
bond 21: Jx 212.63983900 Jy 212.644307700 Jz 212.229873600 Jxy 0.000000000 Jxz 0.000000000 Jyz 0.000000000 Jyx 0.000000000 Jzx 0.000000000 Jzy 0.000000000 orb 6 to orb 7 over [0 -1 0]
bond 22: Jx 212.63983900 Jy 212.644307700 Jz 212.229873600 Jxy 0.000000000 Jxz 0.000000000 Jyz 0.000000000 Jyx 0.000000000 Jzx 0.000000000 Jzy 0.000000000 orb 5 to orb 6 over [0 1 0]
bond 23: Jx 212.63983900 Jy 212.644307700 Jz 212.229873600 Jxy 0.000000000 Jxz 0.000000000 Jyz 0.000000000 Jyx 0.000000000 Jzx 0.000000000 Jzy 0.000000000 orb 5 to orb 6 over [-1 0 0]
bond 24: Jx 902.547917400 Jy 902.700071900 Jz 901.495879800 Jxy 0.000000000 Jxz 0.000000000 Jyz 0.000000000 Jyx 0.000000000 Jzx 0.000000000 Jzy 0.000000000 orb 0 to orb 4 over [0 0 0]
bond 25: Jx 902.547917400 Jy 902.700071900 Jz 901.495879800 Jxy 0.000000000 Jxz 0.000000000 Jyz 0.000000000 Jyx 0.000000000 Jzx 0.000000000 Jzy 0.000000000 orb 1 to orb 5 over [0 0 0]
bond 26: Jx 902.547917400 Jy 902.700071900 Jz 901.495879800 Jxy 0.000000000 Jxz 0.000000000 Jyz 0.000000000 Jyx 0.000000000 Jzx 0.000000000 Jzy 0.000000000 orb 2 to orb 6 over [0 0 0]
bond 27: Jx 902.547917400 Jy 902.700071900 Jz 901.495879800 Jxy 0.000000000 Jxz 0.000000000 Jyz 0.000000000 Jyx 0.000000000 Jzx 0.000000000 Jzy 0.000000000 orb 3 to orb 7 over [0 0 0]
Temperature scanning region:
Tmin 2.000000000 Tmax 2000.000000000 nT 107
Field scanning region (in unit 1.48872 T, only if Kelvin and uB is used for energy and spin):
Hmin 0.000000000 Hmax 0.100000000 nH 1
Dipole long-range coupling:
alpha 0.000000
Measurement:
measure the correlation function between orb0 and orb0 over [0 0 0]
Supergroup
OrbGroup:1
Supergroup
group0 orb0-orb0

  Topological section      <<<

LocalCircuit per cell: 0 (set to 0 to skip the calc. for topo. Q)

End of Topological section <<<
Distribution output frame: 0
Sweeps for thermalization and statistics, and relaxiation step for each sweep:
80000 640000 0
XAxis type:
T
Model type:
Heisenberg
Algorithm:
Metropolis
Ncores:
64

[golddoushi]

您好，蒙特卡洛算法不太适用于超低温的情况，对于耦合好几百的情况2K有点过低，有可能导致数值溢出的错误。附件是我修改的参数和输出，得到相变温度在160附近

1.txt

result.txt

[HiHfJj]

十分感谢刘博的及时回复与帮助！我再调试参数重新模拟。