User Activity

  • Committed [r455]

    SupercellPhonons: Skip looking for point group when running an electronic band structure calculation (type TSdir=True)

  • Committed [r454]

    SupercellPhonons: lasto variable was not correctly identified if the geometry was the primitive cell

  • Committed [r451]

    SetupRuns: Added writing of keyword TS.HS.Save to SetupFCrun [the older TS.SaveHS appears to be deprecated since siesta 4.1 r833]

  • Committed [r450]

    Script added to k-average IETS spectra calculated at specific k-points

  • Committed [r449]

    scripts: updated siesta_cleanup and added average-gridfunc

  • Committed [r448]

    ValueCheck: Fix for absolute path to electrode TSHS files

  • Committed [r447]

    SiestaIO: Ignore _.- characters when looking up FDF keywords

  • Committed [r446]

    SiestaIO.WriteXYZFile: Print only skipped number of ghost atoms if any

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Personal Data

Username:
tfrederiksen
Joined:
2009-09-22 15:32:46

Projects

This is a list of open source software projects that Thomas Frederiksen is associated with:

  • Inelastica Transport code and tools based on SIESTA and TranSIESTA (DFT-NEGF) Last Updated:

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