Hamiltonian Eigenvalues in 4.1-b2

SIESTA - Technical Features and Bug Report
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1

How can I calculate Hamiltonian eigenvalues in SIESTA-4.1-b2?

2

The MPSH is not implemented in 4.0 or above.
To calculate the MPSH eigenvalues you could read in the Hamiltonian via sisl https://github.com/zerothi/sisl.

Something like this:
>>> script.py

import sisl as si
H = si.get_sile('siesta.TSHS').read_hamiltonian()
H = H.sub([10, 11, 12])
print(H.eigh())

which will calculate the MPSH eigenvalues for the 11th, 12th and 13th atom.

3

Hi, How can I plot this MPSH eigenvalues in cube files?