On 27.05.2020 14:05, Lorenzo Paulatto wrote:
Hello Anonymous, this is really tiny:A = 2.5200kind regards
Hello Lorenzo,This does not influence the result. If I increase granularity of the k-mesh (to say 4 4 2 0 0 0) the error persists.
Sincerely yours, M.V. Kondrin _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users