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  • fleurfleur
  • Issues

  • Open 22
  • Closed 88
  • All 110
New issue
  • Priority Created date Last updated Milestone due date Due date Popularity Label priority Manual
  • ntriad error for certain k point sets
    #113 · opened Jun 08, 2017 by Gregor Michalicek   Bug Code stability issue Discussion
    • 0
    updated Jun 08, 2017
  • core solver fails if spin up electron is removed from core, jspins=2
    #132 · opened Aug 09, 2017 by Jens Bröder   Bug Code stability issue
    • 0
    updated Aug 09, 2017
  • TiO2eels test -> illegal k point set
    #144 · opened Oct 24, 2017 by Gregor Michalicek   Bug Code stability issue
    • 0
    updated Aug 15, 2018
  • write econfig always into inp.xml file (at least with -explicit)
    #151 · opened Dec 13, 2017 by Jens Bröder   Bug Feature Request input generation
    • 7
    updated Nov 06, 2018
  • DOS with Tria and non equally k meshes, crashes
    #159 · opened Mar 23, 2018 by Andrea Hanke   Bug Code stability issue
    • 3
    updated Mar 28, 2018
  • FLEUR: miscounting of electrons default core setup, LOs problem?
    #179 · opened Aug 16, 2018 by Jens Bröder   Bug Code stability issue
    • 3
    updated Nov 06, 2018
  • Inital charge density differs between a magnetic and a non-magnetic Cu-Bulk calculation
    #196 · opened Aug 22, 2018 by Matthias Redies   Bug
    • 0
    updated Aug 24, 2018
  • Fleur complains about symmetry provided by inpgen
    #204 · opened Sep 07, 2018 by Jens Bröder   Bug input generation
    • 2
    updated Sep 21, 2018
  • Specifying the kPoint density seems to be broken
    #218 · opened Nov 06, 2018 by Gregor Michalicek   Bug
    • 2
    updated Nov 28, 2019
  • Lapack Diagonalization fail during relaxation
    #264 · opened May 08, 2019 by Stefan Rost   Bug Probably solved
    • 3
    updated Nov 28, 2019
  • Orbital decomposition crashes
    #266 · opened May 10, 2019 by Bernd Zimmermann   Bug Code stability issue Feature Request
    • 1
    updated Aug 30, 2019
  • segmentation fault for parallel run
    #269 · opened Jun 03, 2019 by Anoop Chandran   Bug
    • 4
    updated Nov 28, 2019
  • PBE_inbuild and PBE_libxc differ
    #301 · opened Aug 16, 2019 by Matthias Redies   Bug
    • 1
    updated Aug 26, 2019
  • NOCO: Constraint moments and relaxations
    #304 · opened Aug 21, 2019 by Gregor Michalicek   Bug
    • 1
    updated Aug 21, 2019
  • MPI processes doesn't terminate after XML validation error
    #306 · opened Aug 26, 2019 by Anoop Chandran   Bug
    • 2
    updated Nov 28, 2019
  • Jij calculation leads to SEGFAULT
    #308 · opened Aug 28, 2019 by Henning Janssen   Bug
    • 1
    updated Nov 28, 2019
  • Convergence of force relaxation with BFGS seems to be very slow
    #309 · opened Aug 28, 2019 by Gregor Michalicek   Bug
    • 7
    updated Nov 21, 2019
  • banddos.hdf written in parallel is not correct
    #311 · opened Sep 18, 2019 by Uliana Alekseeva   Bug
    • 5
    updated Sep 25, 2019
  • Testsystem has false positive
    #314 · opened Oct 01, 2019 by Matthias Redies   Bug
    • 1
    updated Nov 29, 2019
  • Spin spiral energy for films lacking z-reflection is wrong
    #315 · opened Oct 01, 2019 by Vasily Tseplyaev   Bug
    • 1
    updated Nov 28, 2019
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