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2019

  • 2019-08-12最终作业
  • 2019-08-09Phonon spectra of diamond
  • 2019-08-06差分电荷和Bader电荷分布
  • 2019-08-01过渡态理论以及Ammonia flipping计算实例
  • 2019-07-31晶体结构力学性能相关计算(VASP)
  • 2019-07-30金刚石(100)表面电子结构计算
  • 2019-07-29建模
  • 2019-07-28Calculate the band structure and density of states of diamond with the VASP code
  • 2019-07-25INCAR parameter of VASP
  • 2019-07-21Computational Materials Science for Innovation
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Recent
  • 最终作业
  • Phonon spectra of diamond
  • 差分电荷和Bader电荷分布
  • 过渡态理论以及Ammonia flipping计算实例
  • 晶体结构力学性能相关计算(VASP)
  • 金刚石(100)表面电子结构计算
  • 建模
  • Calculate the band structure and density of states of diamond with the VASP code
  • Some useful scripts
  • INCAR parameter of VASP
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