Small imaginary frequencies (~10–30 cm⁻¹) in 2D quantum dot nanoflakes after full DFT convergence — acceptable or problematic?

In my DFT calculations on nanoflakes of 2D quantum dots, I observe a few small negative frequencies in the range of 10–30 cm⁻¹, even after full convergence. I have used both effective core...

26 April 2025 1,128 5 View