Thank you, will be fixed. Typically iterative orthonormalization converges in a few iterations and a larger default has no effects.
Paolo On Sun, Oct 3, 2021 at 9:59 AM Mahmoud Payami Shabestari < [email protected]> wrote: > Dear QE Developers, > > Kindly, the specified value of "ortho_max" specified in > "read_namelists.f90" as 300, is inconsistent with the Default value > mentioned in CP_INPUT as 20. > > Mahmoud Payami > > > > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 206, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
_______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
