MateriApps
A Portal Site of Materials Science Simulation

now 326 Apps

Inquiry / Application Request
Detailed search

Advance/PHASE

  • Openness:0 ☆☆☆
  • Document quality:0 ☆☆☆

Advance / PHASE is  software for first-principles calculation based on the density functional theory by using plane-wave basis and pseudopotentials. Since the electronic state is obtained based on quantum mechanics, highly accurate results can be obtained. It can be expected not only to analyze existing materials but also to design various metals, insulators, semiconductors, magnetic materials, dielectric materials, piezoelectric materials, and various other new materials.

Information
Last Update:2024/10/10

Official site

http://www.advancesoft.jp/product/advance_phase/

License

Advance/PHASE: commercial license

Availability
  • Windows 7 or later (64bit)
  • RedHat Linux 6 or later (64bit)
Core Developers

AdvanceSoft Corporation
Target substance/model

metals, insulators, semiconductors, magnetic materials, dielectric materials, piezoelectric materials, half metal organic material, organic semiconductors, strongly correlated electron systems, low-dimensional nanomaterials
Physical quantities that can be computed

electronic state, stable structure of atom, lattice constant, elastic propetries, band structures, density of states, diffusion coefficient by first-principles MD, electron’s spin polarization, magnetic anisotropy by spin-orbit interaction, dielectric function (electron or lattice systems), nonlinear susceptibility, X-ray photoelectron spectroscopy, EELS (Electron energy-loss spectroscopy), stress tensor, work function, piezoelectric constant, STM/AFM images
Methodology

DFT, pseudopotential method, planewave basis, first principles MD (NVE, NVT), hybrid functional, DFT+U, van der Waals correction, exact exchange functional (EXX-OEP), Nudged Elastic Band (NEB) method, metadynamics method, Effective Screening Medium (ESM) method, constant-μ method, 3D-RISM-SCF method
Parallelization
  • Parallel computing by MPI and OpenMP is supported.
  • Parallel computation using Xeon-Phi is also supported.
  • High-speed operating performance has been checked on FOCUS supercomputer.
Related App
Related keywords
Document

https://www.advancesoft.jp/products/nano/advance-phase/advancephase_articles/
Other
  • Software to make pseudo potentials Advance/CIAO is preinstalled
  • BoltzTraP
  • Wannier90
TOP