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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
|
40
|
January 29, 2026
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ValueError: One or more NEB images share the same calculator. DFTB calculator
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5
|
902
|
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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1368
|
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
|
89
|
July 16, 2024
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Constraining NEB Calculations to only one Degree of Freedom
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2
|
262
|
March 7, 2024
|
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NEB in ASE with parallel images
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0
|
392
|
February 15, 2024
|
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Running NEB calculations through library interface in Fortran
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|
5
|
358
|
May 4, 2023
|
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Problem with NEB calcualtion
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|
1
|
471
|
January 24, 2023
|
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Running NEB for activation energy calculation in a CuAl alloy system
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|
4
|
715
|
January 8, 2023
|
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Restarting NEB calculations from last positions
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0
|
411
|
December 13, 2022
|
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Problem while running NEB, neb style 'each'
|
|
10
|
1075
|
November 28, 2022
|
|
Reverse energy barrier (EBR) is zero for my NEB
|
|
1
|
378
|
November 17, 2022
|
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Exception: no dump file specified
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|
2
|
391
|
November 10, 2022
|