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Optical properties
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2
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395
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September 20, 2022
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KGB Parallelization Tutorial Run Crashs
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2
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274
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September 8, 2022
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BaTiO3 Rhombohedral structure - Structure Optimization
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3
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482
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September 6, 2022
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Internal energy result mismatch with comparison values at small cell sizes
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1
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231
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August 11, 2022
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PAW. build core density and valence electron density files
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11
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314
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July 5, 2022
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Interpreting DOS of heterogeneous structure
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0
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255
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July 5, 2022
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Some questions about the use of ABINIT for computing formation energies
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1
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256
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July 4, 2022
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AFM calculations
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1
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385
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June 17, 2022
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Phonon dispersion of monolayer material
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11
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963
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May 4, 2022
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SCF convergence detoriates and oscillates after certain steps during structure relaxation with vacancies
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2
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482
|
April 6, 2022
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Problem related to band structure plot
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3
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471
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March 7, 2022
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Can we do independent meshes for each layer of atoms?
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1
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313
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March 7, 2022
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Density matrix entries
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4
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324
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January 20, 2022
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How to remove the spiky features in layer-resolved density of states?
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4
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565
|
January 11, 2022
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Charge transfer calculation (between molecule and substrate) using the AIM utility (Bader charge analysis)
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3
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504
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December 9, 2021
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Abinit stops with no error during geometric optimization
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6
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603
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December 9, 2021
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Unable to restart from DEN when using ivalence
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3
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528
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December 5, 2021
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PAW Parallelization for positron calculation
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0
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330
|
December 4, 2021
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Flat bands and no direct band gap for ferromagnetic MnTe crystal
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1
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567
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December 3, 2021
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The wave function of the Bulk GaAs crystal
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2
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719
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November 28, 2021
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Segmentation fault error while starting positron SCF after converging electron SCF
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12
|
508
|
November 22, 2021
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Computation of minimum energy paths
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0
|
262
|
November 10, 2021
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[SOLVED]Phonon dispersion with negative frequency
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3
|
620
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November 4, 2021
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One atom with two DFT+U orbital
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2
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322
|
October 26, 2021
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Positron Doppler calculation fails after SCF steps
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5
|
420
|
September 28, 2021
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BUG: excited configuration with nqfd not working
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5
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489
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September 20, 2021
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Error dhpev returned info !=0
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5
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664
|
September 14, 2021
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Optimizing the relaxation convergence time
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2
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494
|
September 5, 2021
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Supercell with Europium impurity : Convergence problem
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3
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1337
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August 7, 2021
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How to calculate scissor operator
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6
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1240
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August 4, 2021
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