« first day (192 days earlier)      last day (1050 days later) » 

12:34 PM
0
Q: SCF Calculation not converging after two decimal places in Quantum ESPRESSO

Parmeet Singh EP 066I have been trying to do geometrical optimization for ZnSe Quantum Dots using Quantum ESPRESSO. The convergence is very slow, so slow that even after 200 iterations I could not get convergence. I tried reducing mixing_beta to 0.3 like it says in the manual for QE(things got worse) and then I trie...

 

« first day (192 days earlier)      last day (1050 days later) »