A Portal Site of Materials Science Simulation

Introduction In this review article, CP2K is installed on the supercomputer of ISSP (ohtaka) and test calculat…Read More

Machine learning potential–related techniques are attracting attention as a way to achieve fast, large-scale, …Read More

1. Abstract When you perform electronic state calculations to create a band diagram, you must specify high-sym…Read More

1. Abstract GSYS is a useful software that converts data from graph images into numerical values. It can be us…Read More

TeNeS [1] was developed for obtaining the ground state of a quantum system defined on a two-dimensional lattic…Read More

Note: Unfortunately, OVITO has not been installed on the Docker version of MateriApps LIVE!. If you use the do…Read More

1. Introduction This review explains the band diagram, density of states and thermal conductivity of Si phonon…Read More

1. Introduction Phonopy is a post-processing program for extracting phonon properties in combination with firs…Read More

Introduction Here we write a review of LOBSTER’s test calculations. How to install and compile LOBSTER c…Read More

Introduction Here, I explain how we can build a material surface model (slab model) by ASE(Atomic Simulation E…Read More