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times-software / OCEAN

BSE code for core spectroscopy
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DFT consistency #199

Closed jtv3 closed 1 year ago

jtv3 commented 7 years ago
  1. Fix up fband and abpad => dft.pad_bands for consistency between QE and Abinit
  2. Fix up tolerance settings for better consistency
  3. Clean kpt generation to be less terrible, restore umklapp
  4. Spins and magnetism

Will be part of #187

jtv3 commented 1 year ago

Spins and magnetism will be part of issue #293