[Pw_forum] Information about Hamiltonian matrix

Paolo Giannozzi giannozz at nest.sns.it
Wed Jan 2 12:29:17 CET 2008

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

Paolo Giannozzi, Democritos and Udine University 

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