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Advance/PHASE: commercial license

  • 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


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

  • 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

  • Software to make pseudo potentials Advance/CIAO is preinstalled
  • BoltzTraP
  • Wannier90