Hello, Cargo!
Cargo is Rust’s build system and package manager. Create a new project To create a new project using Cargo Cargo defaults to --bin to make a binary pr...
Author: K.Y.
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...
VASP calculation of spin-polarized fcc Ni
Series of try VASP sample: “fcc Ni”. Lattice parameter optimization, calculation of the DOS and bandstructure in (spin-polarized) fcc Ni. INCAR ISPI...
Hello, RUST
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 with Intel MKL
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...
Start LAMMPS in 5 min. on Mac
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...
Hello, Kivy
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...
Hello, wxPython
I try wxPython. wxPython wxPython is the cross-platform GUI toolkit for the Python. Install Hello, wxPython
VASP calculation of beta-tin Si
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...
VASP calculation of cd Si
Series of try VASP sample. “diamond Si” here. cms.mpi.univie.ac.at 1 pocketCd Si - Vaspwikihttp://cms.mpi.univie.ac.at/wiki/index.php/Cd_Si Calculation is the s...