Dear QE users For systems hard to converge, is it possible to use the density and wfcs from a converged calculation with coarser k mesh as initial guesses for refined k mesh calculation?
I tried with "startingpot=file, startingwfc=file", but it seemd that QE accepted the density, but refused the wfcs... Regards & Thanks Mr. Yang Liu Fudan Univ., Shanghai, China _______________________________________________ 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
