使用mcsolver计算居里温度是不是只需要设置有耦合作用的原子，没有耦合作用的原子可以不用设置？

[wzzong]

没有耦合作用的原子是否可以不用在软件中设置？

[golddoushi]

不参与耦合的原子不用设置

[wzzong]

不参与耦合的原子不用设置

老师，您好，我试了一下下面这个参数设置，跑出来的没有任何规律，但是我又不知道问题出现在哪，可以请教一下您吗？ This is mcsolver's save file, version: 3.0 Lattice: 1.000000000 0.000000000 0.000000000 -0.500000000 0.870000000 0.000000000 0.000000000 0.000000000 1.000000000 Supercell used in MC simulations: 25 25 1 Orbitals in cell: 4 Positions, initial spin states and onsite-anisotropy of every orbital: orb 0: type 0 spin 2.000000000 pos [0.000000000 0.000000000 0.630990000] Dx 0.000000000 Dy 0.000000000 Dz -1.617968000 h 0.000000000 orb 1: type 0 spin 2.000000000 pos [0.666670000 0.333330000 0.735660000] Dx 0.000000000 Dy 0.000000000 Dz -1.617968000 h 0.000000000 orb 2: type 0 spin 2.000000000 pos [0.333330000 0.666670000 0.407730000] Dx 0.000000000 Dy 0.000000000 Dz -1.617968000 h 0.000000000 orb 3: type 0 spin 2.000000000 pos [0.666670000 0.333330000 0.302640000] Dx 0.000000000 Dy 0.000000000 Dz -1.617968000 h 0.000000000 Bonds: 12 id, source, target, overLat, exchange matrix elements of each bond: bond 0: Jx 232.404064167 Jy 232.404056667 Jz 233.315905833 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 232.404064167 Jy 232.404056667 Jz 233.315905833 Jxy 0.000000000 Jxz 0.000000000 Jyz 0.000000000 Jyx 0.000000000 Jzx 0.000000000 Jzy 0.000000000 orb 0 to orb 1 over [-1 0 0] bond 2: Jx 232.404064167 Jy 232.404056667 Jz 233.315905833 Jxy 0.000000000 Jxz 0.000000000 Jyz 0.000000000 Jyx 0.000000000 Jzx 0.000000000 Jzy 0.000000000 orb 0 to orb 1 over [-1 -1 0] bond 3: Jx 55.650612500 Jy 55.621897500 Jz 55.349792500 Jxy 0.000000000 Jxz 0.000000000 Jyz 0.000000000 Jyx 0.000000000 Jzx 0.000000000 Jzy 0.000000000 orb 0 to orb 0 over [1 1 0] bond 4: Jx 55.650612500 Jy 55.621897500 Jz 55.349792500 Jxy 0.000000000 Jxz 0.000000000 Jyz 0.000000000 Jyx 0.000000000 Jzx 0.000000000 Jzy 0.000000000 orb 0 to orb 0 over [1 0 0] bond 5: Jx 55.650612500 Jy 55.621897500 Jz 55.349792500 Jxy 0.000000000 Jxz 0.000000000 Jyz 0.000000000 Jyx 0.000000000 Jzx 0.000000000 Jzy 0.000000000 orb 0 to orb 0 over [0 1 0] bond 6: Jx 55.650612500 Jy 55.621897500 Jz 55.349792500 Jxy 0.000000000 Jxz 0.000000000 Jyz 0.000000000 Jyx 0.000000000 Jzx 0.000000000 Jzy 0.000000000 orb 1 to orb 1 over [1 0 0] bond 7: Jx 55.650612500 Jy 55.621897500 Jz 55.349792500 Jxy 0.000000000 Jxz 0.000000000 Jyz 0.000000000 Jyx 0.000000000 Jzx 0.000000000 Jzy 0.000000000 orb 1 to orb 1 over [1 1 0] bond 8: Jx 55.650612500 Jy 55.621897500 Jz 55.349792500 Jxy 0.000000000 Jxz 0.000000000 Jyz 0.000000000 Jyx 0.000000000 Jzx 0.000000000 Jzy 0.000000000 orb 1 to orb 1 over [0 1 0] bond 9: Jx -0.473410833 Jy -0.473410833 Jz -0.470702500 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 10: Jx -0.473410833 Jy -0.473410833 Jz -0.470702500 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 -1 0] bond 11: Jx -0.473410833 Jy -0.473410833 Jz -0.470702500 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 -1 0] Temperature scanning region: Tmin 100.000000000 Tmax 2000.000000000 nT 950 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: 40000 320000 1 XAxis type: T Model type: Heisenberg Algorithm: Metropolis Ncores: 4