[Pw_forum] How can I get Hamiltonian matrix ?

[Paolo Giannozzi]

On Feb 26, 2009, at 13:16 , Li Zhu wrote:

> Who can help me to get the Hamiltonian matrix in pwscf ?

there is no such thing as "the Hamiltonian matrix" in pwscf.
The operator H is defined via its action on a vector \psi:
see routine "h_psi"

Paolo
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Paolo Giannozzi, Democritos and University of Udine, Italy