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 .	1	292	July 10, 2021
About the Response calculations category	0	337	January 13, 2021
Piezoelectric tensor calculation fail	7	25	September 12, 2025
E-ph mobility calculation error in optdriver	5	19	August 19, 2025
How to calculate Hall Conductivity?	5	64	August 18, 2025
Doubt with interatomic force constant analysis	3	65	August 18, 2025
Electronic Band Structure and Phonon Dispersion with Heatmap	2	85	July 21, 2025
Inconsistency of nonlinear optical susceptibility between DFPT and Sum-over-States methods optic	0	24	July 9, 2025
Can abinit calculate elastic tensor of 2D materials?	1	40	June 26, 2025
Elastic and Piezoelectric Property Calculation with PAW Pseudopotential	3	48	June 20, 2025
Issue with Negative Frequency Pocket in tau_{nk} during eph Mobility Calculation of 2D materials	5	59	May 6, 2025
Can not calculate 1st-order WF derivates with respect to strain in electric-optics optic	5	74	April 29, 2025
Is Tetrahedron method of EPH module suitable for 2D system?	3	39	April 8, 2025
Issues while running electron-phonon interaction calculations using the TDepES legacy module in version 10.2.3 testing	0	35	March 28, 2025
Question about GPATH.nc and EPH thermoelectric properties	0	22	March 25, 2025
Elasto-optic tensor optic	0	47	March 24, 2025
Question of momentum matrix element renormalization with scissor correction optic	0	21	March 23, 2025
NLO Properties Calculation Error	7	60	February 20, 2025
Negative energy in phonon band dispersion	4	66	February 19, 2025
How to Parallelize DFPT Calculation? optic , parallelism	0	34	February 14, 2025
Calculation of the interatomic forces fails	2	49	February 13, 2025
No phonon dispersion is created in tutorial "eph_legacy"	2	28	February 11, 2025
Error in the calculation of quadrupole tensor	1	164	February 10, 2025
Unexpected Negative Value of d33 Under Biaxial Strain in Wurtzite Structure	1	37	January 6, 2025
Static nonlinear properties optic , testing	5	159	December 18, 2024
Re: Negative Frequency Value while graphing the phonon band structure	0	33	November 7, 2024
Question about "ipert" and "idir" in anaddb	1	63	November 5, 2024
Calculate Tc with VCA	1	66	October 31, 2024
Scissor calculation for electron-phonon coupling	4	160	October 20, 2024
Question About Isotropic Constants Value in EPH Calculations	1	46	September 29, 2024