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
Issue with electro-optic coefficient calculation optic	3	26	October 29, 2025
Second-order nonlinear optical susceptibility of optic and Electronic non-linear susceptibility of DFPT	1	16	October 12, 2025
Piezoelectric tensor calculation fail	10	58	September 30, 2025
E-ph mobility calculation error in optdriver	5	23	August 19, 2025
How to calculate Hall Conductivity?	5	73	August 18, 2025
Doubt with interatomic force constant analysis	3	71	August 18, 2025
Electronic Band Structure and Phonon Dispersion with Heatmap	2	102	July 21, 2025
Inconsistency of nonlinear optical susceptibility between DFPT and Sum-over-States methods optic	0	27	July 9, 2025
Can abinit calculate elastic tensor of 2D materials?	1	49	June 26, 2025
Elastic and Piezoelectric Property Calculation with PAW Pseudopotential	3	54	June 20, 2025
Issue with Negative Frequency Pocket in tau_{nk} during eph Mobility Calculation of 2D materials	5	63	May 6, 2025
Can not calculate 1st-order WF derivates with respect to strain in electric-optics optic	5	76	April 29, 2025
Is Tetrahedron method of EPH module suitable for 2D system?	3	46	April 8, 2025
Issues while running electron-phonon interaction calculations using the TDepES legacy module in version 10.2.3 testing	0	37	March 28, 2025
Question about GPATH.nc and EPH thermoelectric properties	0	25	March 25, 2025
Elasto-optic tensor optic	0	52	March 24, 2025
Question of momentum matrix element renormalization with scissor correction optic	0	27	March 23, 2025
NLO Properties Calculation Error	7	67	February 20, 2025
Negative energy in phonon band dispersion	4	79	February 19, 2025
How to Parallelize DFPT Calculation? optic , parallelism	0	38	February 14, 2025
Calculation of the interatomic forces fails	2	52	February 13, 2025
No phonon dispersion is created in tutorial "eph_legacy"	2	29	February 11, 2025
Error in the calculation of quadrupole tensor	1	168	February 10, 2025
Unexpected Negative Value of d33 Under Biaxial Strain in Wurtzite Structure	1	42	January 6, 2025
Static nonlinear properties optic , testing	5	165	December 18, 2024
Re: Negative Frequency Value while graphing the phonon band structure	0	35	November 7, 2024
Question about "ipert" and "idir" in anaddb	1	67	November 5, 2024
Calculate Tc with VCA	1	75	October 31, 2024