Hi Siesta Users, I am trying to reproduce the results on Mn-C6H6 chains. But I am getting the magnetic moment 3 uB/unit cell rather than 1 uB/unit cell. I tried various pseudopotentails. But result is coming same.
Can anybody help me. -- Pankaj Kumar Ph. D. Scholar School of Basic Sciences Department of Physics IIT Mandi Mob. No. +91 9736694726
Mn-v6h6.fdf
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