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times-software / OCEAN

BSE code for core spectroscopy
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Detect QE version for diagonalization options #306

Closed jtv3 closed 1 year ago

jtv3 commented 1 year ago

ppcg is default for BSE and screening orbitals, but not supported with earlier versions of QE. Detect version after SCF run and switch back to Davidson if needed

jtv3 commented 1 year ago

Fixed in 3.0.4