Issues · fleur / fleur · GitLab

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