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OCEAN 2.9.6.3
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@jtv3 jtv3 released this 16 Jul 16:12
· 413 commits to master since this release
v2.9.6.3
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Learn about vigilant mode.

v. 2.9.6

Major Features

  1. Support for D. R. Hamann's Optimized Norm-conserving Vanderbilt pseudopotentials
  2. Improvements to parallelism
    1. Screening calculation is faster
    2. Prep stage is faster too
  3. The DFT calculations for the BSE are split in two whenever there is finite-q

Minor Features

  1. OPF calculation should be slightly more robust, but noticeable differences are unlikely
  2. Large finite-q valence calculations should be working again
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