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BSE: Minor changes for spectra#3815

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oschuett merged 4 commits intocp2k:masterfrom
MGraml:minor_changes_spectra
Dec 17, 2024
Merged

BSE: Minor changes for spectra#3815
oschuett merged 4 commits intocp2k:masterfrom
MGraml:minor_changes_spectra

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@MGraml MGraml commented Dec 16, 2024

  • add computation and printing of photoabsorption cross section
  • improve handling of BSE calculations where PERIODIC XYZ is invoked

@oschuett oschuett merged commit 5b22e8b into cp2k:master Dec 17, 2024
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