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19 Open 90 Closed
19 Open 90 Closed
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Issues list

Is it possible to calculate dense of state by using cp2k+sirius
#994 opened May 13, 2024 by LM99v
1
SIRIUS LR results discrepancies for non-zero q
#988 opened Apr 26, 2024 by gsavva
3
[json.exception.type_error.302] type must be string, but is null
#974 opened Mar 13, 2024 by svandenhaute
@mtaillefumier
6
SIRIUS timers and roctrace
#961 opened Feb 12, 2024 by gsavva
1
Build fails: error: implicit instantiation of undefined template 'std::basic_stringstream<char>'
#946 opened Jan 4, 2024 by yurivict
1
mpi_grid_dims seems to be ignored
#935 opened Dec 6, 2023 by gsavva
libxc mGGA functionals are silently skipped
#914 opened Nov 6, 2023 by simonpintarelli
gsl compilation error
#875 opened Jul 22, 2023 by jobs-git
1
The test sirius.scf_test19_cpu_serial in verification/test19 fails: Can't divide 1 ranks into groups of size 4
#868 opened Jul 14, 2023 by yurivict
1
Use CP2K to pass UPF files feature
#802 opened Dec 21, 2022 by toxa81
@mtaillefumier
Costa requirement missing bug
#781 opened Nov 10, 2022 by matt-chan
@mtaillefumier
9
scf total energy when U+V are non-zero is different between QE and QE+SIRIUS
#774 opened Oct 19, 2022 by gsavva
6
Python executable in installed files should be supplied by the caller
#758 opened Aug 26, 2022 by yurivict
@simonpintarelli
2
how to use LDA+U in cp2k with sirius
#744 opened Jul 4, 2022 by GengSS
5
Insufficient workspace with scalapack
#705 opened Dec 16, 2021 by dev-zero
GPU calls in CPU mode
#533 opened Aug 20, 2020 by haampie
4
keep master branch only
#464 opened Jan 22, 2020 by toxa81
@toxa81
7
Initial magnetization and total energy
#287 opened Oct 10, 2018 by toxa81
2
get rid of 10a.u. hack in sirius
#196 opened Apr 9, 2018 by toxa81
ProTip! Exclude everything labeled bug with -label:bug.