<div>Dear Prof. Eyvaz and Prasenjit,</div>
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<div>Thank you for your reply.</div>
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<div>>As you have an oxide it is not so surprising. As an example I remember B1 NiO<br>>or FeO,You should apply, at least, LDA+U to get more correct bands (see<br>>/examples/example25). Yamboo or GW+Wannier might be another tools to fix the<br>
>problem.</div>
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<div>I also want to do phonons calculations....can i use LDA+U or Yamboo or GW+Wannier </div>
<div>for this also.? or any other option?</div>
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<div>Also from physics point of view if i have an odd no. of electrons in primitive cell,</div>
<div>then my system should be metallic, but actually it insulator...why is it so?<br>.</div>
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<div>>If your system has odd no. of electrons, you should do a spin<br>>polarized calculation with some smearing.</div>
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<div>will try whether can i get insulating nature?</div>
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<div>with kind regards,</div>
<div><br>-- <br>Sonu Kumar<br><br>Phd Student<br>Physics Department<br>Indian Institute of Technology <br>Delhi-110016, India<br>web:-<a href="http://www.iitd.ac.in/" target="_blank">http://www.iitd.ac.in/</a><br></div>