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.
