Search results

Compilation error of SIRIUS-7.6.1 with CP2K for GPU

Status: Open.

#1049 In electronic-structure/SIRIUS;

· butterflycollector opened on Jan 16, 2025

Issue with sirius_set_atom_type_hubbard() API function

bug

Status: Open.

#1047 In electronic-structure/SIRIUS;

· toxa81 opened on Jan 15, 2025

Build Failure with intel-oneapi-compilers using spack

Status: Open.

#1045 In electronic-structure/SIRIUS;

· vijaymocherla opened on Jan 12, 2025

missing header for libxc 7.0.0

Status: Open.

#1040 In electronic-structure/SIRIUS;

· jpoto opened on Dec 19, 2024

Is it possible to calculate dense of state by using cp2k+sirius

Status: Open.

#994 In electronic-structure/SIRIUS;

· LM99v opened on May 13, 2024

SIRIUS timers and roctrace

Status: Open.

#961 In electronic-structure/SIRIUS;

· gsavva opened on Feb 12, 2024

mpi_grid_dims seems to be ignored

Status: Open.

#935 In electronic-structure/SIRIUS;

· gsavva opened on Dec 6, 2023

libxc mGGA functionals are silently skipped

Status: Open.

#914 In electronic-structure/SIRIUS;

· simonpintarelli opened on Nov 6, 2023

scf total energy when U+V are non-zero is different between QE and QE+SIRIUS

Status: Open.

#774 In electronic-structure/SIRIUS;

· gsavva opened on Oct 19, 2022

Python executable in installed files should be supplied by the caller

Status: Open.

#758 In electronic-structure/SIRIUS;

· yurivict opened on Aug 26, 2022

how to use LDA+U in cp2k with sirius

Status: Open.

#744 In electronic-structure/SIRIUS;

· GengSS opened on Jul 4, 2022

Insufficient workspace with scalapack

Status: Open.

#705 In electronic-structure/SIRIUS;

· dev-zero opened on Dec 16, 2021