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Converter script for Elk DFT code #3

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Converter script for Elk DFT code #3

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@danielguterding danielguterding commented Dec 22, 2023 •
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Added a converter script for BXSF files generate from the Elk DFT code.

This script performs the following operations:

  • Convert energies from Hartree to Rydberg
  • Remove factor of 2*PI from reciprocal lattice vectors

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