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  • Review
  • Last Update:2021/12/09

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

  • Review
  • Last Update:2021/12/09

Draw GaAs band structure using Quantum ESPRESSO

Introduction Quantum ESPRESSO is open-source software for first-principles calculation. The detailed documenta…Read More

  • Review
  • Last Update:2021/12/09

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

  • Review
  • Last Update:2021/12/09

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

  • Review
  • Last Update:2021/12/09

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

  • Review
  • Last Update:2021/12/09

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

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  • Last Update:2021/12/09

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

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  • Last Update:2021/12/09

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

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  • Last Update:2021/12/09

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

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  • Last Update:2021/12/09

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

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MateriApps
A Portal Site of Materials Science Simulation

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