Dear all
I would like to check I am doing the correct things. I need to compare the eigenvalues of some atoms and molecules. I am following this procedure: 1) pw in a cube cell bigger enough to exclude any interaction with its neighbours. 2) adding the "assume_isolated='makov-payne'" option in the input 3) add the "Corrected vacuum level" found at the bottom of the output to each eigenvalue. 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. This is what I would expect using LCAO programs like Gamess or Gaussian, can I expect something similar using pw and mp correction? Best Regards ?Davide
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