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ACE with Fock operator
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0
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13
|
August 28, 2024
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Crash for the calculations of dkdk wavefunction for higher ecut and dense k points
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3
|
40
|
August 21, 2024
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How to calculate the zero point energy of a molecule by abinit?
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1
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30
|
August 19, 2024
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BoltzTraP2 for a spin-polarized system
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1
|
71
|
August 19, 2024
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Issue with Relaxing MgO with an axial stress of (a, 0, 0 , 0, 0, 0)
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0
|
32
|
August 16, 2024
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Segmentation fault error in positron lifetime calculation!
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0
|
36
|
August 13, 2024
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Can ABINIT Calculate Electron-Phonon Coupling with +U?
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2
|
51
|
August 10, 2024
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Unexpected behavior molecular dynamics using timelimit flag
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0
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22
|
August 5, 2024
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Structural relaxation with Coulomb interaction cutoff
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2
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39
|
August 1, 2024
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The double-delta approximation
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3
|
28
|
July 25, 2024
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Convergence problems Two-Component DFT
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6
|
206
|
July 23, 2024
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Issues with 2D Coulomb cutoff with parallelization
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1
|
54
|
July 5, 2024
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Some symmetry problems in nonlinear optical calculations
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2
|
52
|
July 3, 2024
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Bader analysis abinit 9.6.2 - files-file problem
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9
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144
|
July 1, 2024
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Severe inefficiencies in parallel computing
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4
|
92
|
June 30, 2024
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Failed using new 'structure' variable
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2
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48
|
June 27, 2024
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Atomic forces not decreasing for structural optimization
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0
|
55
|
June 24, 2024
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Structure optimization problem. Current rprimd gives negative (R1 x R2) . R3
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2
|
83
|
June 20, 2024
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Interpreting self-consistent GW output files, especially with abipy
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8
|
88
|
June 18, 2024
|
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Spgroup 151 not respecting Wyckoff multiplicity
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2
|
80
|
June 17, 2024
|
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Abinit processes not terminating on job finish
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|
5
|
85
|
June 10, 2024
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Optic response calculation failing for higher ngkpt
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4
|
76
|
June 9, 2024
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Unintentional symmetry breaking in unit cell convergece
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3
|
123
|
May 27, 2024
|
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DFPT+U doesnt work for q != Gamma
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|
12
|
387
|
May 10, 2024
|
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Abinit interface to Wannier90 code for spinor wave functions
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4
|
154
|
May 1, 2024
|
|
Charge transfer calculation (between molecule and substrate) using the AIM utility (Bader charge analysis)
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4
|
633
|
April 28, 2024
|
|
K-points for (111) surface BZ
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2
|
108
|
April 24, 2024
|
|
Wannier functions for cRPA & DMFT with several correlated sites in unit-cell
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|
1
|
123
|
April 16, 2024
|
|
Decomposition of magnetization in mixalch calculation
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|
1
|
83
|
April 9, 2024
|
|
Abinit getting stuck at 1st iteration
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|
4
|
103
|
April 1, 2024
|