Issues · fleur / fleur · GitLab

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Write out warning if second variation SOC SQA is defined in a noco calculation

#641 · created Jul 01, 2021 by Henning Janssen Feature Request User friendliness
- CLOSED
- 0
updated Jul 08, 2021
Improve behaviour of pytest system for mpirun commands

#637 · created Jun 16, 2021 by Henning Janssen Feature Request Test system User friendliness
- CLOSED
- 3
updated Jun 17, 2021
Choice of starting occupations might have become worse

#596 · created Mar 19, 2021 by Gregor Michalicek Code stability issue Discussion Input generation User friendliness
- CLOSED
- 3
updated Mar 19, 2021
differ 2: problems with solving dirac equation

#566 · created Feb 12, 2021 by Matthias Redies User friendliness
- CLOSED
- 12
updated Feb 23, 2021
frcor from the first iteration on

#379 · created Jan 31, 2020 by Gregor Michalicek Feature Request User friendliness
- CLOSED
- 3
updated Feb 15, 2021
Invalid memory reference in parallelized calculation

#551 · created Jan 21, 2021 by Gregor Michalicek Feature Request MPI problem User friendliness
- CLOSED
- 20
updated Feb 11, 2021
Energy parameters are not written out to the out.xml file anymore

#296 · created Aug 13, 2019 by Gregor Michalicek Feature Request User friendliness
- CLOSED
- 1
updated Feb 11, 2021
Check force theorem trigger condition

#559 · created Jan 29, 2021 by Gregor Michalicek Usage User friendliness
- CLOSED
- 3
updated Feb 04, 2021
Reset the iteration counter if initial charge density was fixed via qfix

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

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

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

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

#148 · created 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 · created Apr 25, 2019 by Matthias Redies Bug Problem with specific library User friendliness
- CLOSED
- 3
updated May 21, 2019