Latest Response calculations topics

Topic	Replies	Views	Activity
Moderators : Joao Abreu @joaocarloscabreu & Matthieu Verstraete @mverstra For information, the moderators of this category are Joao Abreu @joaocarloscabreu & Matthieu Verstraete @mverstra .	0	300	July 10, 2021
About the Response calculations category	0	349	January 13, 2021
Possible symmetry error in full-DFPT nonlinear optical tensor for wurtzite ZnO	2	55	June 23, 2026
Self Trapped Polaron Calculation Error with Optdriver 7	1	41	June 22, 2026
Discrepancy in force constants spatial decay: Flexoelectric vs. Phonon DDBs testing	8	94	May 21, 2026
DFPT phonon calculation in monolayers	6	107	March 19, 2026
Printing dynamical matrix with LO-TO splitting testing	5	65	January 27, 2026
Negative Phonon Frequency in EPH Calculation	0	36	January 23, 2026
NaN/0-values in ANADDB for successful datasets	3	56	January 23, 2026
DFPT - Positive phonon frequencies but negative A2F	2	45	January 16, 2026
Electronic non-linear susceptibility optic	1	98	December 21, 2025
Calculations for big systems parallelism	4	128	December 1, 2025
Can't use ixc=11 with optdriver=5	2	67	November 7, 2025
Issue with electro-optic coefficient calculation optic	3	169	October 29, 2025
Second-order nonlinear optical susceptibility of optic and Electronic non-linear susceptibility of DFPT	1	121	October 12, 2025
Piezoelectric tensor calculation fail	10	196	September 30, 2025
E-ph mobility calculation error in optdriver	5	165	August 19, 2025
How to calculate Hall Conductivity?	5	206	August 18, 2025
Doubt with interatomic force constant analysis	3	125	August 18, 2025
Electronic Band Structure and Phonon Dispersion with Heatmap	2	156	July 21, 2025
Inconsistency of nonlinear optical susceptibility between DFPT and Sum-over-States methods optic	0	92	July 9, 2025
Can abinit calculate elastic tensor of 2D materials?	1	99	June 26, 2025
Elastic and Piezoelectric Property Calculation with PAW Pseudopotential	3	158	June 20, 2025
Issue with Negative Frequency Pocket in tau_{nk} during eph Mobility Calculation of 2D materials	5	182	May 6, 2025
Can not calculate 1st-order WF derivates with respect to strain in electric-optics optic	5	146	April 29, 2025
Is Tetrahedron method of EPH module suitable for 2D system?	3	151	April 8, 2025
Issues while running electron-phonon interaction calculations using the TDepES legacy module in version 10.2.3 testing	0	75	March 28, 2025
Question about GPATH.nc and EPH thermoelectric properties	0	59	March 25, 2025
Elasto-optic tensor optic	0	85	March 24, 2025
Question of momentum matrix element renormalization with scissor correction optic	0	64	March 23, 2025