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Welcome to Discourse
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0
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520
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July 3, 2021
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Spgroup 151 not respecting Wyckoff multiplicity
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1
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21
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May 17, 2024
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Install abinit via home-brew
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3
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40
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May 15, 2024
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DFPT+U doesnt work for q != Gamma
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12
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285
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May 10, 2024
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Can not reproduce an old configure (ABINIT 9.4.2 - OneAPI 2021.2.0)
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8
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98
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May 10, 2024
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ABINIT v10.0.5 production release
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0
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39
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May 1, 2024
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Abinit interface to Wannier90 code for spinor wave functions
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4
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88
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May 1, 2024
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Charge transfer calculation (between molecule and substrate) using the AIM utility (Bader charge analysis)
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4
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540
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April 28, 2024
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Optic response calculation failing for higher ngkpt
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2
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38
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April 25, 2024
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K-points for (111) surface BZ
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2
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44
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April 24, 2024
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IPA or RPA?...... in optic
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1
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195
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July 12, 2023
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Bader analysis abinit 9.6.2 - files-file problem
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8
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75
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April 23, 2024
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Convergence problems Two-Component DFT
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1
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69
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April 19, 2024
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Wannier functions for cRPA & DMFT with several correlated sites in unit-cell
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1
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56
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April 16, 2024
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ABINIT v10.0.3 production release
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0
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48
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April 15, 2024
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Decomposition of magnetization in mixalch calculation
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1
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43
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April 9, 2024
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Abinit getting stuck at 1st iteration
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4
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46
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April 1, 2024
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Not getting degenrate m-resolved DOS for t2g and eg orbitals of SrVO3 in real spherical harmonic basis
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5
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100
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April 1, 2024
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Problem with anaddb phonon interpolation
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7
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93
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March 27, 2024
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Paral_kgb 1 not working with bands / plane-waves
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3
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76
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March 22, 2024
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Error in the calculation of quadrupole tensor
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0
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61
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March 20, 2024
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Parallel fallbacks Netcdf
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19
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192
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March 18, 2024
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Resuming calculation after stopping
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1
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132
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March 18, 2024
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Scissor calculation for electron-phonon coupling
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3
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102
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March 18, 2024
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Issues with Relaxing a Ni(119) Slab
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10
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91
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March 13, 2024
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Question on Wannier90 get_projections when SOC is taken into account
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5
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376
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March 9, 2024
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Abipy workdir-error
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4
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88
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February 27, 2024
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ABINIT v9.10.5 production release
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0
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71
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February 22, 2024
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PAW calculation in EPH
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2
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90
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January 22, 2024
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Convergence problem for icutcoul
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2
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189
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January 22, 2024
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