Hi On a basic question- I am computing large-scale density functional theory (DFT) calculations. The system has 700 atoms approx. Is there any particular software to generate coordinates for siesta input to be included in %block atomiccoordinatesandatomicspecies?
Or in case if I am reading the input from a file, say "coordinate.data", should the coordinates be terminated with atomic species number? Thank you -- *Regards,* *Rahul *
