PAOFLOW
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Sassafrass6
Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)
What would be the correct way to implement an on-site exchange field in PAOFLOW? To add this on-site Zeeman field, i did: ``` if arrays['Bfield'].any() != 0.0: field = arrays['Bfield'][0]...
Dear developers, I have a quick question: does the PAOFLOW package allow users to select which atomic orbitals to be used for the ACBN0 method? For example, in the acbn0...
Hllo sir, this is Poonam from India. sir i currently exploring the how the relaxation time is calculating with including various kinds of impurities. I read about PAOFLOW package that...
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Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)