Re: [QE-users] Default value ortho_max

2021-10-09 Thread Paolo Giannozzi
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 < mpay...@aeoi.org.ir> wrote: > Dear QE Developers, > > Kindly, the specified value of "ortho_max" sp

[QE-users] Default value ortho_max

2021-10-03 Thread Mahmoud Payami Shabestari
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-centr