Dear Guido Fratesi, thank you for your replay, I tried to check my pw output I didn't understand how I get those parameters and I didn't find any documentation that explains more this step, I try to start with the example of /PP/examples/example03/. but didn't work
here is my input for Copper-adatom hosted on Cu(111) with 18 layers , scf and nscf output nscf-cu.out <https://drive.google.com/file/d/11kRgmrjuOFAH5SpFdtVApnAZ67OKLjep/view?usp=drive_web> scf.in.in <https://drive.google.com/file/d/1Mixpc1wNhYeRoB440C6tA0pySWa-gLtE/view?usp=drive_web> scf-cu.out <https://drive.google.com/file/d/12MIN1H59RLS-rOMm8S9TWvUs9BNsOeka/view?usp=drive_web> Best regards.
_______________________________________________ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
