On Tue, Sep 15, 2020 at 4:16 PM Lorenzo Paulatto <[email protected]> wrote: > > > Are the algorithms appeared in these source code files exactly > > equivalent or not? If they are exactly equivalent, why not create a > > common function/library for this purpose? > Great idea ! > Please go on and do it.
I re-checked the source codes which include the subroutines for Fermi energy determination, and find that they use different smearing schemes/occupation functions. And it seems that ./CPV/src/efermi.f90 contains the most complete algorithms. Regards, HY > > kind regards > > -- > 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 -- Hongyi Zhao <[email protected]> _______________________________________________ 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
