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Neb lammps visualization
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7
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74
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February 26, 2026
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Error Lammps: MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD with errorcode 1.
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4
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47
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January 29, 2026
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ValueError: One or more NEB images share the same calculator. DFTB calculator
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5
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916
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July 14, 2025
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Issue with replica generation with syle 'final' in NEB
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9
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1379
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April 12, 2025
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Question about output file Settings when searching NEB transition state using TAD method
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2
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89
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July 16, 2024
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Constraining NEB Calculations to only one Degree of Freedom
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2
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262
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March 7, 2024
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NEB in ASE with parallel images
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0
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409
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February 15, 2024
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Running NEB calculations through library interface in Fortran
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5
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360
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May 4, 2023
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Problem with NEB calcualtion
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1
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476
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January 24, 2023
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Running NEB for activation energy calculation in a CuAl alloy system
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4
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721
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January 8, 2023
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Restarting NEB calculations from last positions
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0
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416
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December 13, 2022
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Problem while running NEB, neb style 'each'
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10
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1086
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November 28, 2022
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Reverse energy barrier (EBR) is zero for my NEB
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1
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383
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November 17, 2022
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Exception: no dump file specified
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2
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392
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November 10, 2022
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