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times-software / OCEAN

BSE code for core spectroscopy
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Spin and Hubbard with QE #293

Open jtv3 opened 1 year ago

jtv3 commented 1 year ago

QE completely changed their inputs for Hubbard parameters in a minor update with QE 7.1

jtv3 commented 1 year ago

Also need to default some spin for nspin=2

jtv3 commented 3 weeks ago

Hubbard for QE >= 7.1 can be passed with dft.verbatim.qe.hubbard flag. Need to update examples