|
About the Running Abinit category
|
|
0
|
525
|
July 3, 2021
|
|
DFPT - Positive phonon frequencies but negative A2F
|
|
1
|
5
|
January 14, 2026
|
|
TiO2 hybrid functionals parallelism
|
|
0
|
7
|
January 9, 2026
|
|
How to Perform Nudge Elastic Bands calculation
|
|
3
|
47
|
January 6, 2026
|
|
Dynamical matrix with LO-TO splitting
|
|
3
|
89
|
January 6, 2026
|
|
Electronic non-linear susceptibility
|
|
1
|
38
|
December 21, 2025
|
|
How to generate ANADDB output for quadrupole tensor
|
|
0
|
24
|
December 21, 2025
|
|
Calculations for big systems
|
|
4
|
101
|
December 1, 2025
|
|
Degeneracy breaking at Gamma point in cubic ZrO2 scGW calculations with PAW
|
|
2
|
55
|
December 1, 2025
|
|
STM charge density
|
|
2
|
56
|
November 28, 2025
|
|
Looking Error Message Explanation and guidances
|
|
1
|
47
|
November 28, 2025
|
|
Non-convergence issue in phonon calculations of monolayer HfS₂ when increasing ecut and ngkpt
|
|
1
|
43
|
November 18, 2025
|
|
Pulay stress and pressure_GPa
|
|
0
|
39
|
November 7, 2025
|
|
Can't use ixc=11 with optdriver=5
|
|
2
|
48
|
November 7, 2025
|
|
Relaxation with Symmetry Preserved
|
|
1
|
65
|
November 5, 2025
|
|
Qgrid for radial form factors of non-local pseudopotential
|
|
0
|
43
|
October 30, 2025
|
|
Issue with electro-optic coefficient calculation
|
|
3
|
93
|
October 29, 2025
|
|
Spin-Orbit matrix elements
|
|
2
|
83
|
October 28, 2025
|
|
Dynamical matrix and phonon frequency
|
|
2
|
78
|
October 13, 2025
|
|
Second-order nonlinear optical susceptibility of optic and Electronic non-linear susceptibility of DFPT
|
|
1
|
65
|
October 12, 2025
|
|
Piezoelectric tensor calculation fail
|
|
10
|
148
|
September 30, 2025
|
|
How to obtain the DMFT-PDOS
|
|
1
|
71
|
September 1, 2025
|
|
WS mesh error message
|
|
1
|
60
|
August 28, 2025
|
|
E-ph mobility calculation error in optdriver
|
|
5
|
95
|
August 19, 2025
|
|
How to calculate Hall Conductivity?
|
|
5
|
148
|
August 18, 2025
|
|
Doubt with interatomic force constant analysis
|
|
3
|
109
|
August 18, 2025
|
|
Perform phonon calculations
|
|
4
|
91
|
July 22, 2025
|
|
Electronic Band Structure and Phonon Dispersion with Heatmap
|
|
2
|
136
|
July 21, 2025
|
|
Inconsistency of nonlinear optical susceptibility between DFPT and Sum-over-States methods
|
|
0
|
55
|
July 9, 2025
|
|
Fold2Bloch transformation matrix
|
|
2
|
85
|
July 3, 2025
|