Hello
I tried to use vacancies in my reserch.
I added this in input file
iatom atom_type mu_s concentration
atom_types 1
0 1 5.0 0.50
system size is [2 1 1]. Only 2 spins. (1 spin and 1 defect)
When I use simulation with MC, I got, that magnetisation was not 2.5\mu_B.
My output is:
2025-12-17 21:20:53 [ INFO ] [API ] [01] [01] Set external field to 111.1, direction (0, 0, 1)
2025-12-17 21:20:53 [ ALL ] [ MC ] [01] [01] ------------ Started MC Calculation ------------
..............
[2.3017648345557973e-05, -4.055153112858534e-05, 2.5] # magnetisation
[[-9.77327133e-01 1.95001929e-01 8.24980190e-02]
[ 9.20705938e-06 -1.62206126e-05 1.00000000e+00]] #spins directions
[-1 1] #atom types
Also, I checked [0; 1; 0] field direction
Output is:
[2.3017648345557973e-05, -4.055153112858534e-05, 2.5] # magnetisation
[[-9.77327133e-01 1.95001929e-01 8.24980190e-02]
[ 9.20705938e-06 -1.62206126e-05 1.00000000e+00]] #spins directions
So, I can say, that summary magnetisation is sum of defect with \mu = 1.0\mu_B, and atom with \mu=5.0\mu_B
What is my mistake?
Hello
I tried to use vacancies in my reserch.
I added this in input file
iatom atom_type mu_s concentration
atom_types 1
0 1 5.0 0.50
system size is [2 1 1]. Only 2 spins. (1 spin and 1 defect)
When I use simulation with MC, I got, that magnetisation was not 2.5\mu_B.
My output is:
2025-12-17 21:20:53 [ INFO ] [API ] [01] [01] Set external field to 111.1, direction (0, 0, 1)
2025-12-17 21:20:53 [ ALL ] [ MC ] [01] [01] ------------ Started MC Calculation ------------
..............
[2.3017648345557973e-05, -4.055153112858534e-05, 2.5] # magnetisation
[[-9.77327133e-01 1.95001929e-01 8.24980190e-02]
[ 9.20705938e-06 -1.62206126e-05 1.00000000e+00]] #spins directions
[-1 1] #atom types
Also, I checked [0; 1; 0] field direction
Output is:
[2.3017648345557973e-05, -4.055153112858534e-05, 2.5] # magnetisation
[[-9.77327133e-01 1.95001929e-01 8.24980190e-02]
[ 9.20705938e-06 -1.62206126e-05 1.00000000e+00]] #spins directions
So, I can say, that summary magnetisation is sum of defect with \mu = 1.0\mu_B, and atom with \mu=5.0\mu_B
What is my mistake?