|
About the Running Abinit category
|
|
0
|
510
|
July 3, 2021
|
|
Looking Error Message Explanation and guidances
|
|
0
|
1
|
November 6, 2025
|
|
Can't use ixc=11 with optdriver=5
|
|
1
|
6
|
November 5, 2025
|
|
Relaxation with Symmetry Preserved
|
|
1
|
5
|
November 5, 2025
|
|
Qgrid for radial form factors of non-local pseudopotential
|
|
0
|
14
|
October 30, 2025
|
|
Issue with electro-optic coefficient calculation
|
|
3
|
30
|
October 29, 2025
|
|
Spin-Orbit matrix elements
|
|
2
|
27
|
October 28, 2025
|
|
Dynamical matrix with LO-TO splitting
|
|
2
|
21
|
October 24, 2025
|
|
Dynamical matrix and phonon frequency
|
|
2
|
39
|
October 13, 2025
|
|
Second-order nonlinear optical susceptibility of optic and Electronic non-linear susceptibility of DFPT
|
|
1
|
18
|
October 12, 2025
|
|
Piezoelectric tensor calculation fail
|
|
10
|
62
|
September 30, 2025
|
|
How to obtain the DMFT-PDOS
|
|
1
|
29
|
September 1, 2025
|
|
WS mesh error message
|
|
1
|
27
|
August 28, 2025
|
|
E-ph mobility calculation error in optdriver
|
|
5
|
27
|
August 19, 2025
|
|
How to calculate Hall Conductivity?
|
|
5
|
76
|
August 18, 2025
|
|
Doubt with interatomic force constant analysis
|
|
3
|
71
|
August 18, 2025
|
|
Perform phonon calculations
|
|
4
|
55
|
July 22, 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
|
|
0
|
27
|
July 9, 2025
|
|
Fold2Bloch transformation matrix
|
|
2
|
38
|
July 3, 2025
|
|
Can abinit calculate elastic tensor of 2D materials?
|
|
1
|
52
|
June 26, 2025
|
|
Elastic and Piezoelectric Property Calculation with PAW Pseudopotential
|
|
3
|
58
|
June 20, 2025
|
|
Incorrect space group symmetry of impure TiO2 lattice
|
|
2
|
59
|
June 19, 2025
|
|
Constrained DFT - Difficulty Finding Fermi Energy
|
|
1
|
45
|
June 19, 2025
|
|
Dos calculation
|
|
6
|
120
|
June 9, 2025
|
|
Multibinit spin dynamics does not run in parallel on more than 1 CPU cores
|
|
12
|
234
|
May 27, 2025
|
|
Efficiency of calculating large supercells
|
|
4
|
102
|
May 21, 2025
|
|
Band structure calculation using SOC
|
|
3
|
77
|
May 6, 2025
|
|
Issue with Negative Frequency Pocket in tau_{nk} during eph Mobility Calculation of 2D materials
|
|
5
|
69
|
May 6, 2025
|
|
Anaddb interpolation erro
|
|
1
|
56
|
May 5, 2025
|