> 2) I belive the k-points should be include in form > Nkpoits * N^3 to get a complexity guess, because each k-point is > just an additional calculation of a N^3 system ... >
Hello, this is not true for exact exchange, where the Fock operator acts on every couple of k-points. In this case, the times scales with Nkpoints^2. You can limit the range of the exchange, and recover the linear behavior over a certain grid size, by setting nq1x, nq2x and nq3x by hand. Convergence testing is required. -- Lorenzo Paulatto - Paris _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
_______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
