Usage of HPhi on MateriApps LIVE!
1. Introduction Here I introduce how to use HPhi on MateriApps LIVE!. “MaterialApps LIVE!” is a Li…Read More
Draw GaAs band structure using Quantum ESPRESSO
Introduction Quantum ESPRESSO is open-source software for first-principles calculation. The detailed documenta…Read More
Create a phonon band of Si with Quantum Espresso
Let’s draw a phonon band diagram of some suitable substance with Quantum Espresso preinstalled in Materi…Read More
Experience of LAMMPS simulations on MateriApps LIVE!(2019.7.11)
I performed an MD simulation by using LAMMPS(11 Aug 2017) on MateriApps LIVE!. Preparation: See Wiki of MaterA…Read More
Experience of OpenMX simulations on MateriApps LIVE!(2019.7.11)
I introduce how to use OpenMX3.8 on MateriApps LIVE!. Preparation: See Wiki of MaterApps LIVE! for details on …Read More
Experience of xTAPP simulations on MateriApps LIVE!(2019.7.11)
I performed DFT simulations by using xTAPP(170619-3) on MateriApps LIVE!. Preparation: See Wiki of MaterApps L…Read More
Example of ALPS: Application of DMRG to the Heisenberg model
Introduction ALPS is a numerical simulation library where numerical methods are implemented such as density ma…Read More
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…Read More
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. •…Read More
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…Read More