Dear QE users, I am performing a Gibbs free energy calculation for a heterogeneous catalysis reaction system. Im getting a badfile descriptor message in the final step which is fqha.x for calculating Fvib (T). Im herewith attaching my fqha.x input file along with the .dos file that is obtained from matdyn.x calculation. Kindly help me to troubleshoot this problem.
DOS file from matdyn.x: https://drive.google.com/file/d/1t1GVraOOHyGaWS0g1HFKqi-T5D65nKpk/view?usp=drive_link fqha input file: https://drive.google.com/file/d/1k_NTM0HbuGz0p7TIYenAmQ1E3uSh-_48/view?usp=sharing fqha output file: https://drive.google.com/file/d/1bpixUire2SxkS6DdZG0PUVy8NsC9RTy9/view?usp=drive_link Bash script: https://drive.google.com/file/d/1uR3imgvfQkHW4uZsN9VUC7ltAYI-7PFI/view?usp=drive_link Thanking you Suraj Research student IIT, India _______________________________________________________________________________ The Quantum ESPRESSO Foundation stands in solidarity with all civilians worldwide who are victims of terrorism, military aggression, and indiscriminate warfare. -------------------------------------------------------------------------------- Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
