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Questions related from Annafi Yaro Ado
i want carry out homo and lumo charge densities plot, assuming my kband are 600 if want set the input for HOMO PLOT do i have to set it to 599 or i have to look at my HOMO energies value and count...
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Hello everyone could someone please help me with sample of input file for calculating HOMO and LUMO charge densities.
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please i want calculate the homo and lumo charge densities using quantum expresso .please could some one help me with sample of the input file and the step to do that?
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