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Barcelona Supercomputing Center
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NNP_Cu_O
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Issue Date
Title
Author(s)
Program
Calculation type
Method(s)
Basis Set
Energy
Solv.
Vibr.
Orb.
7-Nov-2023
/NNP_application/annealing_convergence_test/annealing_temperature/1500 34
Lian, Zan
LAMMPS; 29 Sep 2021 - Update 3
Molecular Dynamics
-
-
-
7-Nov-2023
/NNP_application/annealing_convergence_test/annealing_temperature/1500 20
Lian, Zan
LAMMPS; 29 Sep 2021 - Update 3
Molecular Dynamics
-
-
-
7-Nov-2023
/NNP_application/annealing_convergence_test/annealing_temperature/1500 27
Lian, Zan
LAMMPS; 29 Sep 2021 - Update 3
Molecular Dynamics
-
-
-
8-Nov-2023
/NNP_application/Odiffusion/Cu_shell/NEB/3oxygen step3
Lian, Zan
LAMMPS; 29 Sep 2021
Molecular Dynamics
-
-
-
7-Nov-2023
/NNP_application/annealing_convergence_test/annealing_temperature/1500 39
Lian, Zan
LAMMPS; 29 Sep 2021 - Update 3
Molecular Dynamics
-
-
-
7-Nov-2023
/NNP_application/annealing_convergence_test/annealing_temperature/1500 46
Lian, Zan
LAMMPS; 29 Sep 2021 - Update 3
Molecular Dynamics
-
-
-
7-Nov-2023
/NNP_application/annealing_convergence_test/annealing_temperature/1500 33
Lian, Zan
LAMMPS; 29 Sep 2021 - Update 3
Molecular Dynamics
-
-
-
7-Nov-2023
/NNP_application/annealing_convergence_test/annealing_temperature/1500 19
Lian, Zan
LAMMPS; 29 Sep 2021 - Update 3
Molecular Dynamics
-
-
-
7-Nov-2023
/NNP_application/annealing_convergence_test/annealing_temperature/1500 40
Lian, Zan
LAMMPS; 29 Sep 2021 - Update 3
Molecular Dynamics
-
-
-
7-Nov-2023
/NNP_application/annealing_convergence_test/annealing_temperature/1500 18
Lian, Zan
LAMMPS; 29 Sep 2021 - Update 3
Molecular Dynamics
-
-
-
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Author
6322
Lian, Zan
Program name
5444
LAMMPS
878
vasp
Calculation type
5444
Molecular Dynamics
805
Geometry optimization
73
Ab-Initio Molecular Dynamics
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878
DFT
