@techreport{oai:kanazawa-u.repo.nii.ac.jp:00011995,
 month = {Feb},
 note = {By using tight-binding molecular dynamics with Fermi operator expansion, we study vacancy defects in Silicon. The code has been developed for checking silicon crystal, point defect formation energies, etc. The crystal configuration for checking varies among the systems of 64, 216, 512, and 1000 atoms. We have also checked the expansion condition of Fermi operator; the smearing width (∆ε), the maximum order of expansion polynomials. The testing shows the good results, compared with the ab initio results. The dynamical behaviors of defects both in the liquid state and the non-self-diffusion state, are still being investigated. In order to support the data analysis, a visualization of multi-vacancy is also constructed.},
 title = {Tight-Binding Molecular Dynamics with Fermi Operator Expansion:Application to Vacancy Defects in Silicon},
 year = {2013}
}