Hello every one, For relaxing the large systems (more than 100 atoms) in SIESTA, seemingly *diagon* is not a good option for solution method. Why and What should be used instead?
yours, B. Fakhraei A beginner to SIESTA program
Hello every one, For relaxing the large systems (more than 100 atoms) in SIESTA, seemingly *diagon* is not a good option for solution method. Why and What should be used instead?
yours, B. Fakhraei A beginner to SIESTA program