Hi, i'm new in ESpinS.
I'm working on 2D systems. I constructed a square lattices with only heisenberg term included for test. but I found the transition temperature is not close to 0K. The input file in the step3 was set as following:
-input
Begin Unit_Cell_Cart
3.48791750 0.00000000 0.00000000
0.00000000 3.48791750 0.00000000
0.00000000 0.00000000 26.56395341
End Unit_Cell_Cart
Begin Atoms_Frac
Cr 0.0000000 0.0000000 0.5594456 3.00
End Atoms_Frac
Hi, i'm new in ESpinS. I'm working on 2D systems. I constructed a square lattices with only heisenberg term included for test. but I found the transition temperature is not close to 0K. The input file in the step3 was set as following:
-input Begin Unit_Cell_Cart 3.48791750 0.00000000 0.00000000 0.00000000 3.48791750 0.00000000 0.00000000 0.00000000 26.56395341 End Unit_Cell_Cart
Begin Atoms_Frac Cr 0.0000000 0.0000000 0.5594456 3.00 End Atoms_Frac
tem_start = 0.1 tem_end = 10 tems_num = 160
steps_warmup = 100000 steps_mc = 200000 steps_measure = 2
initial_sconfig = ferro mcarlo_mode = random
supercell_size = 20 20 1
Hamiltonian
Begin Jij_parameters f1= 0.000000, 0.000000, 0.559446:f2= 1.000000, 0.000000, 0.559446:jij= 0.00258000!:sh= 1!:t1= 1:t2= 1 f1= 0.000000, 0.000000, 0.559446:f2= 0.000000, 1.000000, 0.559446:jij= 0.00258000!:sh= 1!:t1= 1:t2= 1 f1= 0.000000, 0.000000, 0.559446:f2= 0.000000, -1.000000, 0.559446:jij= 0.00258000!:sh= 1!:t1= 1:t2= 1 f1= 0.000000, 0.000000, 0.559446:f2= -1.000000, 0.000000, 0.559446:jij= 0.00258000!:sh= 1!:t1= 1:t2= 1 End Jij_parameters I am wondering what‘s wrong with the input file？
Thanks Chengyang Xu