Dear QE-Users, I'm wondering if it's possible to use something similar like the 'assume_isolated' option not only for clusters/molecules in a three-dimensional supercell or surfaces for the two-dimensional case like it is already described in the input description. But also for the one-dimensional case for example if I want to perform calculations on carbon nanotubes?
Best Regards Dominik Dominik Voigt, M.Sc. PhD Student University of Applied Sciences Münster Department of Chemical Engineering _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
