Issues · fleur / fleur · GitLab

Input in out.xml file is incomplete.

#394 · opened Feb 21, 2020 by Jens Bröder Bug Feature Request
- CLOSED
- 3
updated Sep 16, 2020
Relaxation routine does not write correct displacements if MT overlap

#331 · opened Nov 20, 2019 by Vasily Tseplyaev Bug Feature Request
- CLOSED
- 1
updated Jan 08, 2020
Orbital decomposition crashes

#266 · opened May 10, 2019 by Bernd Zimmermann Bug Code stability issue Feature Request Probably solved
- CLOSED
- 2
updated Dec 02, 2020
Sending usage.json broken

#238 · opened Jan 11, 2019 by Gregor Michalicek Bug Feature Request User friendliness
- CLOSED
- 4
updated Jan 11, 2019
write econfig always into inp.xml file (at least with -explicit)

#151 · opened Dec 13, 2017 by Jens Bröder Bug Feature Request Input generation
- CLOSED
- 8
updated Dec 18, 2019
inpgen maxCubeAtoms not large enough

#53 · opened Sep 20, 2016 by Jens Bröder Bug Feature Request
- CLOSED
- 2
updated Apr 07, 2017
more then 1000 atoms in inp file still causes problem

#51 · opened Sep 20, 2016 by Jens Bröder Bug Feature Request
- CLOSED
- 1
updated Apr 07, 2017
Fleur, film robustness, interstitial density potential integral is NaN.

#50 · opened Sep 14, 2016 by Jens Bröder Bug Code stability issue Feature Request
- CLOSED
- 8
updated Apr 07, 2017
Improve float types in the inputschema

#518 · opened Nov 02, 2020 by Henning Janssen Feature Request
- CLOSED
- 9
updated Dec 01, 2020
Reactivation and automation of enhanced Force routines (+ refactoring?) 19 of 24 tasks completed

#509 · opened Oct 11, 2020 by Alexander Neukirchen Feature Request To Do
- CLOSED
- 17
updated Jan 13, 2021
Fleur with superheavy elements

#467 · opened Jun 28, 2020 by Miro Iliaš Feature Request
- CLOSED
- 4
updated Jul 06, 2020
Conversion of cdn.hdf between noco and FFN

#440 · opened May 07, 2020 by Henning Janssen Feature Request WIP branch
- CLOSED
- 40
updated Jun 08, 2020
Plot-related stuff

#430 · opened Apr 17, 2020 by Alexander Neukirchen Feature Request
- CLOSED
- 8
updated May 04, 2020
Remove structures, stars, step functions,... in cdn.hdf, whenever there is no related charge density

#426 · opened Apr 03, 2020 by Gregor Michalicek Feature Request User friendliness
- CLOSED
- 1
updated Jun 16, 2020
Extend `-trace` option with a coredump

#413 · opened Mar 21, 2020 by Matthias Redies Feature Request
- CLOSED
- 0
updated Dec 02, 2020
Move triangle decomposition to inpgen

#377 · opened Jan 31, 2020 by Henning Janssen Feature Request
- CLOSED
- 2
updated May 07, 2020
Extend usage.json info with MemTotal

#376 · opened Jan 30, 2020 by Vasily Tseplyaev Discussion Feature Request
- CLOSED
- 5
updated Jan 30, 2020
relax.xml should be generated only when charge density convergence ensured

#318 · opened Oct 23, 2019 by Vasily Tseplyaev Feature Request
- CLOSED
- 0
updated Nov 06, 2019
Restart for MetaGGAs

#298 · opened Aug 16, 2019 by Matthias Redies Feature Request
- CLOSED
- 0
updated Dec 02, 2020
LibXC GGA & MetaGGA in the vaccuum

#284 · opened Jul 10, 2019 by Matthias Redies Feature Request
- CLOSED
- 4
updated Nov 24, 2020

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