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	316	July 10, 2021
About the Response calculations category	0	359	January 13, 2021
Possible symmetry error in full-DFPT nonlinear optical tensor for wurtzite ZnO	2	112	June 23, 2026
Self Trapped Polaron Calculation Error with Optdriver 7	1	74	June 22, 2026
Discrepancy in force constants spatial decay: Flexoelectric vs. Phonon DDBs testing	8	189	May 21, 2026
DFPT phonon calculation in monolayers	6	191	March 19, 2026
Printing dynamical matrix with LO-TO splitting testing	5	127	January 27, 2026
Negative Phonon Frequency in EPH Calculation	0	56	January 23, 2026
NaN/0-values in ANADDB for successful datasets	3	94	January 23, 2026
DFPT - Positive phonon frequencies but negative A2F	2	79	January 16, 2026
Electronic non-linear susceptibility optic	1	147	December 21, 2025
Calculations for big systems parallelism	4	197	December 1, 2025
Can't use ixc=11 with optdriver=5	2	102	November 7, 2025
Issue with electro-optic coefficient calculation optic	3	218	October 29, 2025
Second-order nonlinear optical susceptibility of optic and Electronic non-linear susceptibility of DFPT	1	164	October 12, 2025
Piezoelectric tensor calculation fail	10	294	September 30, 2025
E-ph mobility calculation error in optdriver	5	232	August 19, 2025
How to calculate Hall Conductivity?	5	251	August 18, 2025
Doubt with interatomic force constant analysis	3	165	August 18, 2025
Electronic Band Structure and Phonon Dispersion with Heatmap	2	184	July 21, 2025
Inconsistency of nonlinear optical susceptibility between DFPT and Sum-over-States methods optic	0	109	July 9, 2025
Can abinit calculate elastic tensor of 2D materials?	1	121	June 26, 2025
Elastic and Piezoelectric Property Calculation with PAW Pseudopotential	3	185	June 20, 2025
Issue with Negative Frequency Pocket in tau_{nk} during eph Mobility Calculation of 2D materials	5	238	May 6, 2025
Can not calculate 1st-order WF derivates with respect to strain in electric-optics optic	5	201	April 29, 2025
Is Tetrahedron method of EPH module suitable for 2D system?	3	191	April 8, 2025
Issues while running electron-phonon interaction calculations using the TDepES legacy module in version 10.2.3 testing	0	93	March 28, 2025
Question about GPATH.nc and EPH thermoelectric properties	0	74	March 25, 2025
Elasto-optic tensor optic	0	101	March 24, 2025
Question of momentum matrix element renormalization with scissor correction optic	0	74	March 23, 2025