Is there any way to set options of non-linear core correction in VASP or Quantum Espresso?

Dear Expert. Last week, I did the calculations of Al compression to find the transition pressure from FCC to HCP or from HCP to BCC. In the paper(M.J. Tambe et. al., PHYSICAL REVIEW B 77, 172102,...

16 May 2016 2,750 2 View