[QE-users] error reading input namelist -- d3hess.x

2024-08-02 Thread marco infantino
Hello, I have the following hessian input calculations : - phonons (vibrational modes) of structure  &inputph   prefix='scf_image_4_ts_001_no_charge',   outdir='scf_image_4_ts_001_no_charge',   filhess='prefix.hess'   step='1.d-3'  / 0.0 0.0 0.0 --- Of course, I have the SC

[QE-users] root not converged in phonon calculation

2024-06-20 Thread Marco Infantino
Hello ! I am doing a phonon calculation with one of my structure, but I always have the following error " Electric Fields Calculation kpoint   1 ibnd 425 solve_e: root not converged  1.291E-02 kpoint   1 ibnd 425 solve_e: root not converged  1.961E-02 kpoint   1 ibnd 425 sol