Issues · fleur / fleur · GitLab

Reset the iteration counter if initial charge density was fixed via qfix

#274 · opened Jun 12, 2019 by Vasily Tseplyaev User friendliness
- CLOSED
- 4
updated Jan 13, 2021
Center films around 0

#273 · opened Jun 11, 2019 by Matthias Redies User friendliness
- CLOSED
- 1
- 5
updated Dec 02, 2020
Standard force calculations differ

#523 · opened Nov 19, 2020 by Alexander Neukirchen User friendliness
- CLOSED
- 2
updated Nov 23, 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
Write out a single file with the noncollinear magnetization density

#244 · opened Jan 16, 2019 by Gregor Michalicek Feature Request User friendliness
- CLOSED
- 1
- 8
updated Apr 16, 2020
Input variables that have to be changed

#243 · opened Jan 14, 2019 by Gregor Michalicek Discussion Feature Request User friendliness
- CLOSED
- 1
updated Dec 18, 2019
Inpgen feature: parallelization suggestion to inp.xml

#150 · opened Dec 13, 2017 by Jens Bröder Feature Request Input generation User friendliness
- CLOSED
- 3
updated Dec 18, 2019
Wishlist for future XML input file formats

#158 · opened Feb 14, 2018 by Gregor Michalicek Discussion Feature Request Input generation User friendliness
- CLOSED
- 0
updated Dec 18, 2019
-hdf5 true option fails if build is overwritten

#333 · opened Dec 03, 2019 by Henning Janssen Compilation related User friendliness
- CLOSED
- 2
updated Dec 04, 2019
unequal k mesh yields "nkpt > mkpt" error

#302 · opened Aug 16, 2019 by Gregor Michalicek Code stability issue User friendliness
- CLOSED
- 3
updated Aug 26, 2019
Line order in input for inpgen

#148 · opened Nov 24, 2017 by Gregor Michalicek New inpgen features Discussion Feature Request Input generation User friendliness
- CLOSED
- 1
updated Jun 17, 2019
False functional doesn't fail in LibXC

#261 · opened Apr 25, 2019 by Matthias Redies Bug Problem with specific library User friendliness
- CLOSED
- 3
updated May 21, 2019
Integrate plot_inp file somewhere in inp.xml

#116 · opened Jun 14, 2017 by Gregor Michalicek Feature Request User friendliness
- CLOSED
- 2
updated May 20, 2019
Get rid of ndir

#115 · opened Jun 13, 2017 by Gregor Michalicek Feature Request User friendliness
- CLOSED
- 1
updated May 20, 2019
Get rid of broyd* files

#106 · opened May 16, 2017 by Daniel Wortmann Feature Request User friendliness
- CLOSED
- 1
updated May 20, 2019
Independent CI runs

#231 · opened Dec 11, 2018 by Matthias Redies Code stability issue Compilation related User friendliness
- CLOSED
- 1
updated Jan 19, 2019
Sending usage.json broken

#238 · opened Jan 11, 2019 by Gregor Michalicek Bug Feature Request User friendliness
- CLOSED
- 4
updated Jan 11, 2019
Strange error appears for `itmax=99`

#213 · opened Oct 17, 2018 by Bernd Zimmermann Bug Code stability issue User friendliness
- CLOSED
- 3
updated Nov 08, 2018
A warning should be issued, if the file cdn.hdf is present and the HDF5 module is not loaded

#216 · opened Oct 25, 2018 by Miriam Hinzen User friendliness
- CLOSED
- 1
updated Nov 08, 2018
MPI-output in non-mpi version

#211 · opened Oct 17, 2018 by Bernd Zimmermann User friendliness
- CLOSED
- 0
updated Oct 26, 2018