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<p>Dear all<br>
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<p>I would like to check I am doing the correct things.<br>
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<p>I need to compare the eigenvalues of some atoms and molecules.<br>
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<p>I am following this procedure:<br>
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<p>1) pw in a cube cell bigger enough to exclude any interaction with its neighbours. </p>
<p>2) adding the "assume_isolated='<span style="color: rgb(0, 128, 0); font-family: monospace; font-size: 14px; font-weight: bold; background-color: rgb(255, 255, 255);">makov-payne</span>'" option in the input<br>
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<p>3) add the "Corrected vacuum level" found at the bottom of the output to each eigenvalue.<br>
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<p>Then I should have something more or less comparable amongst different isolated system and in which the HOMO is always negative and the LUMO is either very close to 0 or positive.<br>
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<p>This is what I would expect using LCAO programs like Gamess or Gaussian, can I expect something similar using pw and mp correction?<br>
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<p>Best Regards<br>
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<p>Davide<br>
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