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About the Running Abinit category
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0
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540
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July 3, 2021
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How to obtain the total energy from GW calculations for defect formation energies?
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2
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4
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July 16, 2026
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Confusion with phonon wave vectors in DFPT
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2
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27
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June 30, 2026
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PBE SOC calculations using HGH pseudopotentials
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3
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24
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June 30, 2026
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Possible symmetry error in full-DFPT nonlinear optical tensor for wurtzite ZnO
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2
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53
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June 23, 2026
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Self Trapped Polaron Calculation Error with Optdriver 7
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1
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40
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June 22, 2026
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Obtaining both deep localized and shallow delocalized states of Be acceptor in GaN using ABINIT
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1
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16
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June 18, 2026
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Discrepancy in force constants spatial decay: Flexoelectric vs. Phonon DDBs
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8
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83
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May 21, 2026
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Struggling with relaxation of PbS slab (triclinic unit cell)
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3
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62
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May 1, 2026
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SCF convergence failure using local exact exchange
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0
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44
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April 29, 2026
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DFPT phonon calculation in monolayers
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6
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105
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March 19, 2026
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Tag for dipole correction in monolayers
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1
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46
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February 11, 2026
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Non-convergence issue in phonon calculations of monolayer HfS₂ when increasing ecut and ngkpt
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2
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107
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February 6, 2026
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Runtime error when using PAW: m_pawrhoij=>NetCDF: Name contains illegal characters
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1
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54
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February 2, 2026
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Printing dynamical matrix with LO-TO splitting
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5
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63
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January 27, 2026
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Negative Phonon Frequency in EPH Calculation
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0
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36
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January 23, 2026
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NaN/0-values in ANADDB for successful datasets
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3
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56
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January 23, 2026
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Broadening of Raman Spectra at 0K and at Finite Temperature
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0
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39
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January 21, 2026
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DFPT - Positive phonon frequencies but negative A2F
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2
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44
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January 16, 2026
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TiO2 hybrid functionals parallelism
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1
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29
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January 15, 2026
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How to Perform Nudge Elastic Bands calculation
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3
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88
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January 6, 2026
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Dynamical matrix with LO-TO splitting
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3
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111
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January 6, 2026
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Electronic non-linear susceptibility
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1
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96
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December 21, 2025
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How to generate ANADDB output for quadrupole tensor
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0
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36
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December 21, 2025
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Calculations for big systems
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4
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128
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December 1, 2025
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Degeneracy breaking at Gamma point in cubic ZrO2 scGW calculations with PAW
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2
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77
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December 1, 2025
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STM charge density
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2
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62
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November 28, 2025
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Looking Error Message Explanation and guidances
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1
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54
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November 28, 2025
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Pulay stress and pressure_GPa
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0
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44
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November 7, 2025
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Can't use ixc=11 with optdriver=5
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2
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66
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November 7, 2025
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