[ase-users] getting Hamiltonian and overlap matrices from NWChem

Panu Sam-Ang panu.sam-ang at stonybrook.edu
Mon Jun 5 21:48:16 CEST 2017

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Hello,

Does anyone know how to get the Hamiltonian and overlap matrices from using
NWChem as the calculator?   What is the command?

Thank you,
Panu
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