To calculate excitation spectrum by exact diagonalization program package HΦ
Introduction For quantum spin systems, whether the software package can or cannot calculate the dynamical stru…続きを読む
Tutorial of materials informatics using MateriApps LIVE! and scikit-learn
Materials for tutorial of materials informatics with scikit-learn is being developed by Dr. H. Kino at NIMS. •…続きを読む
Creating a surface slab model using VESTA
Most first-principles codes rely on the use of the periodic boundary condition. This goes well with bulk cryst…続きを読む
Bayesian optimization using MateriApps LIVE! and COMBO
In this document, we explain how to install a Bayesian optimization library in Python to MateriApps LIVE! and …続きを読む
Creating a supercell model using VESTA
Preparing an atomistic model is the first and perhaps the most important step in using first-principles simula…続きを読む
Drawing cd-Si band structure using VASP and pymatgen
Band structure calculations using VASP involve the following steps: Obtain a self-consistent electron density …続きを読む