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	606	February 14, 2022
Make mpi error with gfortran10+	2	12	January 8, 2025
Errror LiF tutorial not writing out EXCITON nor EPSILON	0	5	December 29, 2024
Controlling the Number of Processors in exciting_smp	2	27	December 5, 2024
Installation error error	0	12	November 30, 2024
Unphysical (?) peaks in finite momentum absorption spectra from Bethe Salpeter Equation	0	5	November 25, 2024
LDA+U: shift by delta_E > U and not U/2	0	7	November 18, 2024
The kinetic energy in rt-TDDFT is negative?	0	9	November 19, 2024
LDA+U for specific n quantum numbers?	0	5	November 18, 2024
Finite q excitons / Bethe Salpeter only for specific compilation?	0	15	September 10, 2024
SHG calculation howto	0	25	September 5, 2024
GW with hybrid functional: nempty and ngridk is used for G0W0	0	14	August 12, 2024
Accurate semi-core and core states for BSE / correcting self-interaction error	0	14	August 8, 2024
Exciting software for calculating SHG howto	0	21	August 4, 2024
Electron-Phonon from Exciting Code	4	524	July 15, 2024
Calculation is not converging	0	92	June 24, 2024
Density of states calculation gives me density of states equal to 0?	2	271	May 31, 2024
Linearisation energy not found	3	191	May 29, 2024
Possible bug in Spin-Texture Calculation	1	228	May 24, 2024
Is Meta GGA implemeted in exciting-oxygen? howto	4	423	May 22, 2024
Regarding parallelization of exciting code calculation	5	317	May 21, 2024
Gks framework and noncollinear spin spiral calculation	0	126	May 16, 2024
Could we modify the exciting Species Files?	2	253	May 12, 2024
Converging K points in XANES-BSE calculations	2	252	May 12, 2024
TLDR: Energy loss function, work function, and ionic liquids on exciting?	1	195	May 12, 2024
Second Harmonic Generation: components of the SHG susceptibility tensor that are expected to be zero howto	0	238	January 5, 2024
Degenerate local-orbital radial functions	0	314	January 3, 2024
How to convert a CIF file to Exciting's input.xml rapidly? howto	5	778	December 21, 2023
Can we set different rgkmax & gmaxvr values for different elements in a single task?	0	215	December 7, 2023
Issue at the moment of compiling exciting.fluorine	3	467	December 5, 2023

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.