<html dir=""><head><style id="axi-htmleditor-style" type="text/css">p { margin: 0px; }</style></head><body style="font-size: 10pt; font-family: Arial; background-image: none; background-repeat: repeat; background-attachment: fixed;"><div align="left">Dear all,<br><br>I have done DFT+U calculations in a semi-empirical way by increasing U parameter until the magnetic moment (M) equal to experimental value was obtained along with a phase transition from metal to insulator, as seen in experiment. All physical findings are reasonable, except total energies. By increasing U and reaching to experimental M, total energy is increasing too. I expected the lowest total energy for it!<br><br></div><br><div class="x-axi-signature">Best regards,<div class="x-axi-signature" style="; font-size: 10pt; font-family: Arial;"><div><br></div><div>F. Marsusi,<br><br>Department of Physics,<br>Amirkabir University of Technology.</div></div></div></body></html><pre>
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