[Pw_forum] Projected density of state onto isolated molecular orbital

[Jun Yin]

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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