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Difference of Magnetism in new abinit
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1
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41
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October 15, 2024
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SCF stops before nstep and tolerance with unexpected warning
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6
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105
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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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Issue with Relaxing MgO with an axial stress of (a, 0, 0 , 0, 0, 0)
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0
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35
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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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36
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August 13, 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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Convergence problems Two-Component DFT
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6
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214
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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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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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49
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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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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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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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Abinit interface to Wannier90 code for spinor wave functions
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4
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159
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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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634
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April 28, 2024
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K-points for (111) surface BZ
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2
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112
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April 24, 2024
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Decomposition of magnetization in mixalch calculation
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1
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84
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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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108
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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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146
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April 1, 2024
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Paral_kgb 1 not working with bands / plane-waves
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3
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123
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March 22, 2024
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Parallel fallbacks Netcdf
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19
|
384
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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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183
|
March 13, 2024
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Convergence problem for icutcoul
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2
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229
|
January 22, 2024
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Missing file: scfo_DS3_1WF36
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0
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150
|
November 16, 2023
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Large deviations in single-atom total energy calculations
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3
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232
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November 10, 2023
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Inconsistency in total energy with 2D cutoff
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1
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143
|
October 24, 2023
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