Dear wien users and experts I would like to calculate Magnetic moment for TbFe2 I got nice energy and charge using GGA convergence in Spin polarization calculation ENERGY convergence: 1 0.000001 .0000001950000000 CHARGE convergence: 1 0.00001 -.000007 But the SPIN MAGNETIC MOMENT IN CELL = 19.82951 according to literature https://materialsproject.org/materials/mp-589/#corrections-eqn Final Magnetic Moment 7.027 μB so in Wien we hope to get 14 two formula unit
I am attaching the structure file so I can get help to know my mistake The system is Ferrimagnetic I used 10000 k point and RKmax 9.0 Latest version of wien2k
TbFe2.struct
Description: Binary data
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