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fleur
Issues
Open
43
Closed
544
All
587
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Manual
Choice of starting occupations might have become worse
fleur#596
· created
Mar 19, 2021
by
Gregor Michalicek
Code stability issue
Discussion
Input generation
User friendliness
CLOSED
3
updated
Mar 19, 2021
DOS created with tria method is way too large and strange
fleur#595
· created
Mar 16, 2021
by
Gregor Michalicek
Bug
CLOSED
19
updated
Mar 17, 2021
inpgen creates a different kpoint set than requested
fleur#594
· created
Mar 16, 2021
by
Christoph Friedrich
CLOSED
7
updated
Mar 17, 2021
Unnecessary loss of precision in "kpts.xml" written by inpgen (symmetry breaking)
fleur#593
· created
Mar 15, 2021
by
Christoph Friedrich
CLOSED
1
updated
Mar 16, 2021
gw="2" run finishes successfully even though there has not been a SCF run
fleur#592
· created
Mar 15, 2021
by
Christoph Friedrich
Bug
Discussion
Feature Request
CLOSED
9
updated
Jun 16, 2021
Inpgen creating LOs, even if told to not do that
fleur#591
· created
Mar 15, 2021
by
Gregor Michalicek
Bug
Input generation
8
updated
Jun 16, 2021
WF1.spn error
fleur#590
· created
Mar 13, 2021
by
thuyht810
CLOSED
1
updated
Mar 14, 2021
l_noco+l_soc+LOs
fleur#589
· created
Mar 13, 2021
by
chenchen
Feature Request
CLOSED
2
updated
Apr 17, 2021
Inaccuracies in atom positions corrected too late in inpgen
fleur#588
· created
Mar 11, 2021
by
Gregor Michalicek
CLOSED
1
1
updated
Mar 11, 2021
Inpgen is broken: uninitialized values
fleur#587
· created
Mar 11, 2021
by
Matthias Redies
CLOSED
2
updated
Mar 11, 2021
DOS contributions don't add up to total
fleur#586
· created
Mar 10, 2021
by
Matthias Redies
CLOSED
4
updated
Mar 10, 2021
Implement minEnergy="-8.50000000*eV" for banddos
fleur#585
· created
Mar 08, 2021
by
Matthias Redies
CLOSED
2
updated
Mar 08, 2021
Make a backup copy of the old out.xml whenever Fleur is started
fleur#584
· created
Mar 08, 2021
by
Gregor Michalicek
CLOSED
1
updated
Mar 10, 2021
Wannier
fleur#583
· created
Mar 07, 2021
by
chenchen
CLOSED
3
updated
Mar 22, 2021
Issue with t_mpimat type
fleur#582
· created
Mar 04, 2021
by
Matthias Redies
CLOSED
0
updated
Mar 04, 2021
Paste inpgen input to inp.xml file?
fleur#581
· created
Mar 03, 2021
by
Gregor Michalicek
Discussion
Feature Request
Input generation
CLOSED
2
12
updated
Mar 04, 2021
Segmentation error when calculating DOS with tria mode
fleur#580
· created
Mar 03, 2021
by
Gregor Michalicek
Bug
CLOSED
5
updated
Mar 26, 2021
bkpts making step
fleur#579
· created
Mar 02, 2021
by
thuyht810
CLOSED
6
updated
Mar 09, 2021
"inpgen -inp" produces invalid "inp.xml" file
fleur#578
· created
Feb 26, 2021
by
Christoph Friedrich
Bug
Input generation
3
updated
Jun 16, 2021
Error with 24 mpi processes (6 kpt)
fleur#576
· created
Feb 26, 2021
by
Stefan Rost
CLOSED
4
updated
Feb 26, 2021
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