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Tag: NEB

DFT

VASP calculation of Nudged Elastic Band (NEB)

Posted on 21.Jul.2020 by K.Y. / 0 Comment

Series of try VASP sample: “Nudged Elastic Band Method”. Nudged Elastic Band Method Now, we think that an atom which is located on a surface of latt...

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K.Y.
K.Y.
Scientist, Programer (C/C++, C#, Java, python, fortran), Web Developer (python, php, ruby), Guitarist (Furch OM23-ERCT), Photographer (Canon EOS6D2)

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C/C++ intel mkl kivy lammps Mac MKL NEB numpy python Rust scipy VASP wxPython

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