Dear QE users, I am performing phonon density of states and phonon dispersion calculation, but after some days running the first representation for the 4th q-point didn't converge and the calculation stopped. I tried to resume the calculation including recover = .true., low_directory_check = .true. and reducing alpha_mix(1) in the input file but got the following error:
Error in routine check_initial_status (1): recover file found, change in start_q not allowed Does anyone know how to solve this? The complete input can be found bellow: phonon calculation. &inputph outdir = './outdir' prefix = 'niti', alpha_mix(1) = 0.4 recover = .true. low_directory_check = .true. tr2_ph = 1.0d-14 ldisp = .true. nq1 = 4, nq2 = 4, nq3 = 4 fildyn = 'niti.dyn' / Best regards, Luiz G. D. Silveira UFPR - Brazil _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
