## VASP calculation of Nudged Elastic Band (NEB)

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...

Skip to content
# KYgraphy

## VASP calculation of Nudged Elastic Band (NEB)

## VASP calculation of spin-polarized fcc Ni

## I started RUST

## numpy, scipy with Intel MKL

## Start LAMMPS in 5 min. on Mac

## Hello, Kivy

## Hello, wxPython

## VASP calculation of beta-tin Si

## VASP calculation of cd Si

## VASP calculation of fcc Si bandstructure

Does God Play Dice?

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...

Series of try VASP sample: “fcc Ni”. Lattice parameter optimization, calculation of the DOS and bandstructure in (spin-polarized) fcc Ni. INCAR ISPI...

RUST Rust is a multi-paradigm system programming language focused on safety, especially safe concurrency. Rust is syntactically similar to C++, but is designed ...

numpy, scipy is numerical calculation library. For linear algebra calculation, openblas is used. For intel CPU, Intel MKL is expected to be more faster. I try i...

It’s very easy to start molecular dynamics (MD) on Mac. Molecular Dynamics Molecular dynamics (MD) is a computer simulation method for studying the physic...

I started trying Kivy. Kivy Kivy is one of the cross-platform GUI library of python. Kivy is a free and open source Python library...

I try wxPython. wxPython wxPython is the cross-platform GUI toolkit for the Python. Install Hello, wxPython

Series of try VASP sample. “beta-tin Si” here. cms.mpi.univie.ac.atBeta-tin Si - Vaspwikihttp://cms.mpi.univie.ac.at/wiki/index.php/Beta-tin_Si Si has the diamo...

Series of try VASP sample. “diamond Si” here. cms.mpi.univie.ac.atCd Si - Vaspwikihttp://cms.mpi.univie.ac.at/wiki/index.php/Cd_Si Calculation is the same as th...

Series of try VASP sample. “fcc Si bandstructure” here. cms.mpi.univie.ac.atFcc Si bandstructure - Vaspwikihttp://cms.mpi.univie.ac.at/wiki/index.php/Fcc_...