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Question About Isotropic Constants Value in EPH Calculations
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1
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46
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September 29, 2024
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Curious about the term 2DTE in the tutorial and documentation, why it contains imaginary part?
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2
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41
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September 14, 2024
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Electronic band structure
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2
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80
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September 11, 2024
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ABINIT and BoltzTraP2
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0
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67
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September 11, 2024
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OUT_OF_MEMORY issues encountered with flexoelectric calculations
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4
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74
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September 10, 2024
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SCF stops before nstep and tolerance with unexpected warning
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6
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106
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September 10, 2024
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GW followed by a DFT+U_Run error
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0
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24
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August 31, 2024
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ACE with Fock operator
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0
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15
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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
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44
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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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34
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August 19, 2024
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BoltzTraP2 for a spin-polarized system
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1
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83
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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
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41
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August 16, 2024
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Segmentation fault error in positron lifetime calculation!
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0
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37
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August 13, 2024
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Can ABINIT Calculate Electron-Phonon Coupling with +U?
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2
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57
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August 10, 2024
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Unexpected behavior molecular dynamics using timelimit flag
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0
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22
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August 5, 2024
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Structural relaxation with Coulomb interaction cutoff
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2
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43
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August 1, 2024
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The double-delta approximation
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3
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32
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July 25, 2024
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Convergence problems Two-Component DFT
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6
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215
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July 23, 2024
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Issues with 2D Coulomb cutoff with parallelization
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1
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60
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July 5, 2024
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Some symmetry problems in nonlinear optical calculations
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2
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68
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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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147
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July 1, 2024
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Severe inefficiencies in parallel computing
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4
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96
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June 30, 2024
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Failed using new 'structure' variable
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2
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51
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June 27, 2024
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Atomic forces not decreasing for structural optimization
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0
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57
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June 24, 2024
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Structure optimization problem. Current rprimd gives negative (R1 x R2) . R3
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2
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91
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June 20, 2024
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Interpreting self-consistent GW output files, especially with abipy
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8
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92
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June 18, 2024
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Spgroup 151 not respecting Wyckoff multiplicity
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2
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81
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June 17, 2024
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Abinit processes not terminating on job finish
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5
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85
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June 10, 2024
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Optic response calculation failing for higher ngkpt
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4
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80
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June 9, 2024
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Unintentional symmetry breaking in unit cell convergece
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3
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130
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May 27, 2024
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