DASP: Defect and Dopant ab-initio Simulation Package

  title={DASP: Defect and Dopant ab-initio Simulation Package},
  author={Menglin Huang and Z. Zheng and Zhenxing Dai and Xin Guo and Shanshan Wang and Lilai Jiang and Jinchen Wei and Shiyou Chen},
  journal={Journal of Semiconductors},
In order to perform automated calculations of defect and dopant properties in semiconductors and insulators, we developed a software package, the Defect and Dopant ab-initio Simulation Package (DASP), which is composed of four modules for calculating: (i) elemental chemical potentials, (ii) defect (dopant) formation energies and charge-state transition levels, (iii) defect and carrier densities and (iv) carrier dynamics properties of high-density defects. DASP uses the materials genome database… 
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