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fleur
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fleur
Issues
Open
54
Closed
455
All
509
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Manual
Outputs to unknown io units in dos codepath
fleur#496
· opened
Aug 28, 2020
by
Henning Janssen
Bug
5
updated
Aug 28, 2020
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
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