<div dir="ltr"><div>Dear all,</div><div> I am carrying out a magnetic calculation on Bi2FeCrO6 which has been shown to have ferrimagnetic ground state involving the high-spin configuration on Iron.If I want to look at the difference in energy in high-spin and low-spin configuration how can I target these two ground states ?</div>
<div> I started with starting magnetisation on Fe = 1 and Starting magnetisation on Cr=-0.6.</div><div>Mixing beta=0.3D0</div><div>And get the high-spin configuration with absolute Magnetisation>7.</div><div><div>I tried to start with magnetisation 1 on Fe and -3 on Cr to biased towards low-spin but ended up with the same absolute magnetisation > 7. </div>
<div>I appreciate any help regarding this issue.</div><div><br></div><div>Regards</div><div>paresh</div></div><div style>Ph.D student, IISER BHOPAL</div></div>