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Virtual crystal pseudopotentials #1178

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Virtual crystal pseudopotentials #1178

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@mfherbst mfherbst commented Oct 21, 2025 •
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  • Is this the right way to do pseudo linear combinations ... check what other codes do (note, that currently the β projectors are not necessarily orthogonal ... which could cause trouble)
  • Tests for linear combination pseudos
  • Make sure that saving / loading scfres works and gives some useful information.
  • Make sure printing is reasonable.

@mfherbst mfherbst force-pushed the virtual branch 3 times, most recently from 5a395c5 to 127c049 Compare October 24, 2025 05:03
@mfherbst mfherbst marked this pull request as ready for review December 25, 2025 11:20
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