I'm trying to calculate the charge density of a structure using quantum espresso, I've already used the DENS.X and DEN.X commands, but in both tests the executable not found error appears. Can someone help me? Or do you know which command I should use? This is the error message that appears: mpirun was unable to find the specified executable file, and therefore did not launch the job. This error was first reported for process rank 0; it may have occurred for other processes as well. NOTE: A common cause for this error is misspelling a mpirun command line parameter option (remember that mpirun interprets the first unrecognized command line token as the executable). Node: adagp04 Executable: dens.x

and in that link is my .in input file: https://drive.google.com/file/d/1nyETxvco8x6XL0XqjHwAZnkgVAJ_ws43/view?usp=sharing

  • $\begingroup$ You have previously asked this here and the answer still applies. The command is pp.x, not dens.x. The input file description for pp.x can be found here $\endgroup$ Dec 6, 2023 at 1:37