AFM calculations
Posted: Thu Nov 10, 2016 1:03 pm
The POSCAR for non-magnetic case is
System = AuMnSn
6.22890000000000
0.0000000000000000 0.5000000000000000 0.5000000000000000
0.5000000000000000 0.0000000000000000 0.5000000000000000
0.5000000000000000 0.5000000000000000 0.0000000000000000
Au Mn Sn
1 1 1
Direct
0.5000000000000000 0.5000000000000000 0.5000000000000000
0.2500000000000000 0.2500000000000000 0.2500000000000000
0.0000000000000000 0.0000000000000000 0.0000000000000000
What is the POSCAR for antiferromagnetic case?
System = AuMnSn
6.22890000000000
0.0000000000000000 0.5000000000000000 0.5000000000000000
0.5000000000000000 0.0000000000000000 0.5000000000000000
0.5000000000000000 0.5000000000000000 0.0000000000000000
Au Mn Sn
1 1 1
Direct
0.5000000000000000 0.5000000000000000 0.5000000000000000
0.2500000000000000 0.2500000000000000 0.2500000000000000
0.0000000000000000 0.0000000000000000 0.0000000000000000
What is the POSCAR for antiferromagnetic case?