Dear QE users,
Fisrt of all thank you so much for your help. i think that Mr Hari Paudyal was so right for the Ecut, because when i changed it to 80Ry the pressure gives a lower value. i 've used also the vc-relax instead of relax. the calculation are running and i'am waiting for the results. _______________________________________________ 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
