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	617	February 14, 2022
Inpot file for NH3 molecular crystal in exciting error	1	10	June 3, 2025
Is GW Calculation for 2D Materials Possible with exciting in the Current Version?	0	12	April 27, 2025
Momentum matrix elements for a given k point	1	11	April 26, 2025
@scrcoul/subgrid_q0 option in current exciting version	0	5	April 16, 2025
Degeneracy of the Top Valence Bands in GW for Si with SOC	0	3	April 6, 2025
Make mpi error with gfortran10+	3	34	February 11, 2025
Errror LiF tutorial not writing out EXCITON nor EPSILON	2	31	February 11, 2025
Error regarding "Exciton Analysis and Visualization" for LiF	0	8	February 10, 2025
Impact of ngridq on Ground-State Indirect Band Gap with Spin-Orbit Coupling in GW Calculations	1	16	January 23, 2025
Controlling the Number of Processors in exciting_smp	2	51	December 5, 2024
Installation error error	0	27	November 30, 2024
Unphysical (?) peaks in finite momentum absorption spectra from Bethe Salpeter Equation	0	9	November 25, 2024
LDA+U: shift by delta_E > U and not U/2	0	10	November 18, 2024
The kinetic energy in rt-TDDFT is negative?	0	14	November 19, 2024
LDA+U for specific n quantum numbers?	0	13	November 18, 2024
Finite q excitons / Bethe Salpeter only for specific compilation?	0	20	September 10, 2024
SHG calculation howto	0	28	September 5, 2024
GW with hybrid functional: nempty and ngridk is used for G0W0	0	16	August 12, 2024
Accurate semi-core and core states for BSE / correcting self-interaction error	0	20	August 8, 2024
Exciting software for calculating SHG howto	0	28	August 4, 2024
Electron-Phonon from Exciting Code	4	535	July 15, 2024
Calculation is not converging	0	102	June 24, 2024
Density of states calculation gives me density of states equal to 0?	2	276	May 31, 2024
Linearisation energy not found	3	195	May 29, 2024
Possible bug in Spin-Texture Calculation	1	240	May 24, 2024
Is Meta GGA implemeted in exciting-oxygen? howto	4	428	May 22, 2024
Regarding parallelization of exciting code calculation	5	406	May 21, 2024
Gks framework and noncollinear spin spiral calculation	0	126	May 16, 2024
Could we modify the exciting Species Files?	2	255	May 12, 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.