Issues · fleur / fleur · GitLab

Conversion of cdn.hdf between noco and FFN

#440 · opened May 07, 2020 by Henning Janssen Feature Request
- 2
updated Jun 01, 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
- 0
updated Apr 03, 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
Extend `-trace` option with a coredump

#413 · opened Mar 21, 2020 by Matthias Redies Feature Request
- 0
updated Mar 25, 2020
Input in out.xml file is incomplete.

#394 · opened Feb 21, 2020 by Jens Bröder Bug Feature Request
- 1
updated Feb 22, 2020
frcor from the first iteration on

#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

#332 · opened Nov 20, 2019 by Vasily Tseplyaev Feature Request
- 0
updated Nov 20, 2019
Error with Virtual crystal approximation

#317 · opened Oct 02, 2019 by quratuou Feature Request User friendliness
- 4
updated Dec 03, 2019
Restart for MetaGGAs

#298 · opened Aug 16, 2019 by Matthias Redies Feature Request
- 0
updated Aug 30, 2019
Energy parameters are not written out to the out.xml file anymore

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

#284 · opened Jul 10, 2019 by Matthias Redies Feature Request
- 0
updated Aug 30, 2019
Orbital decomposition crashes

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

#248 · opened Jan 30, 2019 by Daniel Wortmann Feature Request
- 0
updated Jan 30, 2019
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
- 4
updated Aug 15, 2018
Parameters never read from inp.xml file

#107 · opened May 17, 2017 by Gregor Michalicek Discussion Feature Request input generation
- 1
updated May 20, 2019
Tests of Fleur and its features

#102 · opened May 16, 2017 by Jens Bröder Compilation related Discussion Feature Request Problem on specific computers Test system
- 2
updated Aug 15, 2018
Changes in out.xml for next official fleur version

#61 · opened Nov 30, 2016 by Gregor Michalicek Discussion Feature Request
- 9
updated Jan 28, 2019