pw.x Problem restarting scf calculation from a previous relaxation step with v 6.6
Hello everyone, I noticed that, in version 6.6, when trying to restart a calculation from a previous relaxation run setting calculation = scf and restart_mode = restart, the final total energy is very different from the total energy of the optimized structure of the previous run. Running few cases, I noticed that discrepancies could go from 0.1 to several Ry. Instead, the restart seems to work as expected if calculation = vc-relax and restart_mode = restart.
In the files attached you can find the input and output for both the initial relaxation and the subsequent scf step for one of these cases.
Best regards, Chiara Ricca