Issues · fleur · GitLab

PBE_inbuild and PBE_libxc differ

fleur#301 · opened Aug 16, 2019 by Matthias Redies Bug
- 5
updated Sep 17, 2020
Restart for MetaGGAs

fleur#298 · opened Aug 16, 2019 by Matthias Redies Feature Request
- 0
updated Aug 30, 2019
Include uninitialized Flags for extended tests

fleur#297 · opened Aug 13, 2019 by Matthias Redies Code stability issue
- 1
updated Aug 28, 2019
Energy parameters are not written out to the out.xml file anymore

fleur#296 · opened Aug 13, 2019 by Gregor Michalicek Feature Request User friendliness
- 1
updated Aug 26, 2019
LibXC GGA & MetaGGA in the vaccuum

fleur#284 · opened Jul 10, 2019 by Matthias Redies Feature Request
- 2
updated Sep 16, 2020
Reset the iteration counter if initial charge density was fixed via qfix

fleur#274 · opened Jun 12, 2019 by Vasily Tseplyaev User friendliness
- 4
updated Jun 26, 2019
Center films around 0

fleur#273 · opened Jun 11, 2019 by Matthias Redies User friendliness
- 1
- 4
updated Oct 01, 2020
Orbital decomposition crashes

fleur#266 · opened May 10, 2019 by Bernd Zimmermann Bug Code stability issue Feature Request
- 1
updated Aug 30, 2019
Update Schema for out.xml

fleur#248 · opened Jan 30, 2019 by Daniel Wortmann Feature Request
- 1
updated Sep 23, 2020
Normalization of pw_w and pw for densities and potentials should be the same everywhere

fleur#223 · opened Nov 28, 2018 by Gregor Michalicek Discussion Feature Request
- 0
updated Dec 19, 2018
High fluctuations in vacuum density lead to crash

fleur#222 · opened Nov 27, 2018 by Vasily Tseplyaev Code stability issue
- 3
updated Oct 09, 2020
Specifying the kPoint density seems to be broken

fleur#218 · opened Nov 06, 2018 by Gregor Michalicek Bug
- 2
updated Nov 28, 2019
DOS with Tria and non equally k meshes, crashes

fleur#159 · opened Mar 23, 2018 by Andrea Hanke Bug Code stability issue
- 3
updated Mar 28, 2018
TiO2eels test -> illegal k point set

fleur#144 · opened Oct 24, 2017 by Gregor Michalicek Bug Code stability issue
- 0
updated Aug 15, 2018
Discussion on the layout of band.hdf file

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

fleur#141 · opened Sep 13, 2017 by Jens Bröder Code stability issue Discussion Feature Request User friendliness
- 4
updated Aug 15, 2018
core solver fails if spin up electron is removed from core, jspins=2

fleur#132 · opened Aug 09, 2017 by Jens Bröder Bug Code stability issue
- 0
updated Aug 09, 2017
EELS integration aspects

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

fleur#113 · opened Jun 08, 2017 by Gregor Michalicek Bug Code stability issue Discussion
- 0
updated Jun 08, 2017
Tests of Fleur and its features

fleur#102 · opened May 16, 2017 by Jens Bröder Compilation related Discussion Feature Request Problem on specific computers Test system
- 2
updated Sep 23, 2020

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