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  4. Solid state physics Solid state electronic state calculation/band calculation program VASP at the University of Vienna (HPC Systems Co., Ltd.)

Solid state physics Solid state electronic state calculation/band calculation program VASP at the University of Vienna
HPC Systems Co., Ltd.

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■Product overview

VASP is an ab initio quantum molecular dynamics (MD) calculation program developed at the University of Vienna, Austria, using pseudopotentials and plane wave basis. We perform calculations using periodic boundary conditions for crystals and inorganic solids. The method implemented in VASP is based on a finite-temperature local density approximation (LDA, using free energy as a variational quantity) and uses an effective matrix diagonalization method and Pulay mixture to calculate the electronic ground state at each MD step. Evaluate accurately. It is applied to a variety of problems such as band calculations, optimization of stable structures and transition state structures, examination of diffusion paths, and reaction analysis. We own benchmark licenses for each version of VASP. Please use it.

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    Solid state physics Solid state electronic state calculation/band calculation program VASP at the University of Vienna

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