Dear all, when I start a MD simulation, with MD.TypeOfRun Nose or ParrinelloRahman, the SIESTA aborts after one self consistent field loop with the error message: Fortran runtime error: File 'someLabel.PR_RESTART' does not exist. (in the case of parrinellorahman). Shouldn't be there such a file because of MD.TypeOfRun parrinellorahman? What can I do about that?
Thanks in advance Gary Klindt
