Dear all, For combined system, for example, single molecular is absorbed on semiconductor surface, I know we can get projected atomic wavefunctions using projwfc.x, but how to get the projected density of state onto the single molecular orbital (∑|<ϕjk|ψik>|2δ(E-Eik))?
-- Jun Yin Nanyang Technological University Physics and Applied Physics SPMS-03-25, 21 Nanyang Link
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