exciting

Topic	Replies	Views	Activity
Oxygen Updates exciting Oyxgen is patched as and when we find problems. For the latest bug fixes and improvements, please pull from our Github page. Changes are documented in the CHANGELOG.md and the git log.	1	642	February 14, 2022
GGA+U in XANES calculations?	0	17	February 8, 2026
Calculation of optical spectrum with BSE taking into account spin-orbit coupling	1	46	January 27, 2026
Small band gap at K point in graphene DFT calculation (no SOC)	0	33	January 23, 2026
Is calculation with meta-GGA implemented in exciting-sodium?	0	26	November 10, 2025
How to perform a standard ground-state calculation with a user-defined k-point grid	0	25	November 10, 2025
Forrtl: severe (174): SIGSEGV, segmentation fault occurred	0	34	November 3, 2025
Controlling the Number of Processors in exciting_smp	5	141	November 1, 2025
Inpot file for NH3 molecular crystal in exciting error	3	69	August 12, 2025
transport and ptical properties using hybrid functionals? howto	0	22	July 27, 2025
GGA inconsistent with non-collinear magnetism	0	40	June 4, 2025
Is GW Calculation for 2D Materials Possible with exciting in the Current Version?	0	45	April 27, 2025
Momentum matrix elements for a given k point	1	41	April 26, 2025
@scrcoul/subgrid_q0 option in current exciting version	0	25	April 16, 2025
Degeneracy of the Top Valence Bands in GW for Si with SOC	0	24	April 6, 2025
Make mpi error with gfortran10+	3	77	February 11, 2025
Errror LiF tutorial not writing out EXCITON nor EPSILON	2	61	February 11, 2025
Error regarding "Exciton Analysis and Visualization" for LiF	0	33	February 10, 2025
Impact of ngridq on Ground-State Indirect Band Gap with Spin-Orbit Coupling in GW Calculations	1	41	January 23, 2025
Installation error error	0	37	November 30, 2024
Unphysical (?) peaks in finite momentum absorption spectra from Bethe Salpeter Equation	0	32	November 25, 2024
LDA+U: shift by delta_E > U and not U/2	0	32	November 18, 2024
The kinetic energy in rt-TDDFT is negative?	0	35	November 19, 2024
LDA+U for specific n quantum numbers?	0	32	November 18, 2024
Finite q excitons / Bethe Salpeter only for specific compilation?	0	41	September 10, 2024
SHG calculation howto	0	44	September 5, 2024
GW with hybrid functional: nempty and ngridk is used for G0W0	0	24	August 12, 2024
Accurate semi-core and core states for BSE / correcting self-interaction error	0	32	August 8, 2024
Exciting software for calculating SHG howto	0	45	August 4, 2024
Electron-Phonon from Exciting Code	4	568	July 15, 2024

Oxygen Updates

exciting Oyxgen is patched as and when we find problems. For the latest bug fixes and improvements, please pull from our Github page. Changes are documented in the CHANGELOG.md and the git log.