Issues · fleur · GitLab

EELS calculation issue(s)

fleur#486 · opened Aug 21, 2020 by stichri Bug
- 1
updated Nov 04, 2020
Orbital-resolved DOS

fleur#485 · opened Aug 06, 2020 by quratuou WIP feature
- 1
updated Dec 16, 2020
Segfault with 2 MPI

fleur#473 · opened Jul 07, 2020 by Uliana Alekseeva Bug MPI problem
- 4
updated Dec 16, 2020
Heisenberg exchange interaction (Jij via forceTheorem)

fleur#471 · opened Jul 05, 2020 by Soheil-ershad Feature Request
- 0
updated Jul 06, 2020
Python tests system should read juDFT_MPI

fleur#454 · opened Jun 05, 2020 by Matthias Redies
- 0
updated Jun 05, 2020
Confusion with LDA+U double counting and energy

fleur#453 · opened Jun 05, 2020 by Henning Janssen Bug Discussion
- 0
updated Dec 19, 2020
Python tool for converting of input files

fleur#448 · opened Jun 03, 2020 by Jens Bröder Discussion
- 4
updated Jun 03, 2020
New Test infrastructure

fleur#447 · opened Jun 03, 2020 by Jens Bröder Discussion Test system
- 34
updated Dec 18, 2020
LDA+U mixing ambiguity

fleur#439 · opened Apr 29, 2020 by Henning Janssen Bug
- 2
updated Sep 16, 2020
tests enabled by -all_tests need to be updated for current fleur

fleur#433 · opened Apr 21, 2020 by Andreas Beckmann
- 0
updated Apr 21, 2020
(automatic) k-point convergence test?

fleur#420 · opened Mar 24, 2020 by Jens Bröder Discussion Feature Request
- 4
updated Mar 26, 2020
Make sure tests work without Scalapack

fleur#419 · opened Mar 24, 2020 by Matthias Redies Discussion Feature Request Test system
- 7
updated Apr 06, 2020
Differences between old and new inpgen

fleur#410 · opened Mar 18, 2020 by Gregor Michalicek Discussion
- 7
updated Nov 23, 2020
frcor from the first iteration on

fleur#379 · opened Jan 31, 2020 by Gregor Michalicek Feature Request User friendliness
- 0
updated Jan 31, 2020
No clear detection of MT overlapping problem during relaxation

fleur#332 · opened Nov 20, 2019 by Vasily Tseplyaev Feature Request
- 0
updated Nov 20, 2019
Known issues with hybrid functionals in new fleur version

fleur#328 · opened Nov 14, 2019 by Gregor Michalicek Discussion
- 3
updated Mar 25, 2020
Experiences from the DFT lecture tutorial 2018/2019/2020

fleur#325 · opened Oct 31, 2019 by Gregor Michalicek Discussion
- 10
updated Dec 16, 2020
Error with Virtual crystal approximation

fleur#317 · opened Oct 02, 2019 by quratuou Feature Request User friendliness
- 5
updated Jan 13, 2021
banddos.hdf written in parallel is not correct

fleur#311 · opened Sep 18, 2019 by Uliana Alekseeva Bug
- 5
updated Sep 25, 2019
Convergence of force relaxation with BFGS seems to be very slow

fleur#309 · opened Aug 28, 2019 by Gregor Michalicek Bug
- 7
updated Nov 21, 2019

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