Lawrence Lee wrote: > The second problem is about output file of pw.x. I want to get the > stress tensor of each step of a pw.x (not cp.x) molecular dynamic run. > I know that they exist in the standard output file. But the format is > very inconvenient for further proccessing. Do anyone know is there any > flag which can be specified to output a file of stress? > grep -e "P=" --after 3 pw-vc.out
hope it helps stefano