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times-software / OCEAN

BSE code for core spectroscopy
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DFT grids #193

Closed jtv3 closed 1 year ago

jtv3 commented 7 years ago
  1. Better support for shifted grids for RIXS or valence. Should do two separate runs so that the valence states are only calculated for the small number of bands.
  2. Support when the screening grid is the same as the final-state grid.
jtv3 commented 7 years ago

The first step will be modifying wfconvert.x to be able to read from two different WFN (Out directories) to get the ABINIT (QE) data.