Issues · fleur / fleur · GitLab

Add inpgen file format to ase?

#543 · opened Jan 08, 2021 by Jens Bröder Discussion
- 2
updated Jan 08, 2021
iteration step

#530 · opened Dec 07, 2020 by Hyun-Jung Kim Discussion
- 1
updated Dec 07, 2020
User documentation for the MaX 5.0 release 5 of 11 tasks completed

#529 · opened Dec 01, 2020 by Gregor Michalicek Discussion To Do Usage
- 17
updated Jan 15, 2021
Confusion with LDA+U double counting and energy

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

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

#447 · opened Jun 03, 2020 by Jens Bröder Discussion Test system
- 34
updated Dec 18, 2020
(automatic) k-point convergence test?

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

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

#410 · opened Mar 18, 2020 by Gregor Michalicek Discussion
- 7
updated Nov 23, 2020
Known issues with hybrid functionals in new fleur version

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

#325 · opened Oct 31, 2019 by Gregor Michalicek Discussion
- 10
updated Dec 16, 2020
Normalization of pw_w and pw for densities and potentials should be the same everywhere

#223 · opened Nov 28, 2018 by Gregor Michalicek Discussion Feature Request
- 0
updated Dec 19, 2018
Discussion on the layout of band.hdf file

#143 · opened Oct 23, 2017 by Daniel Wortmann Discussion Feature Request
- 26
updated Apr 21, 2020
nonsymmorphic symmetries not yet implemented for films

#141 · opened Sep 13, 2017 by Jens Bröder Code stability issue Discussion Feature Request User friendliness
- 6
updated Dec 03, 2020
EELS integration aspects

#122 · opened Jul 14, 2017 by Gregor Michalicek Discussion
- 3
updated Jul 14, 2017
ntriad error for certain k point sets

#113 · opened Jun 08, 2017 by Gregor Michalicek Bug Code stability issue Discussion
- 4
updated Dec 21, 2020
Tests of Fleur and its features

#102 · opened May 16, 2017 by Jens Bröder Compilation related Discussion Feature Request Problem on specific computers/builds Test system
- 2
updated Dec 18, 2020
Changes in out.xml for next official fleur version

#61 · opened Nov 30, 2016 by Gregor Michalicek Discussion Feature Request
- 9
updated Nov 23, 2020