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<p>WIEN2k users,</p>
<p><span> </span><span> </span>I am trying the mBJ potential and the Unmodified BJ potential, so I took NaCl as an example, so I get for the gap;</p>
<p>without BJ: <span> </span>5eV</p>
<p>mBJ: <span> </span><span> </span><span> </span><span> </span>8.2eV, and Ef is at the bottom of the gap</p>
<p>Unmodified BJ: 6eV, Ef is not at the bottom of the gap</p>
<p><span> </span><span> </span>With these 3 very different values which one is the best; mBJ or Unmodified BJ?</p>
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<p><span> </span><span> </span>I suppose that the Unmodified BJ is still a potential and cannot be used when Ef is not in the gap.<br>
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<p><span> </span><span> </span><span> </span>Pablo</p>
<p>I am using WIEN2k 14.2<br>
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