nqx1 = 1 nqx2 = 1 nqx3 = 1
Hello Greg,these choce of parameters is cheap, but not very well converged. Did you try to use a finer grid for exchange?
cheers -- Lorenzo Paulatto - Paris _______________________________________________ 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
