QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Dmitry on July 17, 2012, 11:40

Title: Calculation time in several methods.
Post by: Dmitry on July 17, 2012, 11:40

Would you please to explane how does the calculation time depends on number of atoms (basis functions) in ATK in
1) DFT/PAO/LDA-PZ
2) DFTB
3) DFTB-nonit
4) EHT
  methods.
And one more question. How does the memory size influence the maximum number of atoms which is possiple to calculate by these methods?
Thank you in advance.