[Pw_forum] Information about Hamiltonian matrix

[Paolo Giannozzi]

On Wednesday 02 January 2008 01:13, Min Seung Kyu wrote:

> Can I obtain hamiltonian matrix in PWSCF?

not in PWscf nor in any other plane-wave based code designed for 
serious usage. All you can have is the result, H\psi, of the application
of the hamiltonian H operator on a vector \psi. This is done in routine
PW/h_psi.f90

P.
-- 
Paolo Giannozzi, Democritos and Udine University