Just in case you want to check my table comparing QE - CASTEP setup parameters.
It can be downloaded from this link: https://uloz.to/file/ago6c1MMiIWU/qe-castep-param-comparison-xls Let me know please, whatever you thing my conclusions related to the parameters correspondence/ transformation are correct or not ... Michal _______________________________________________ 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
