[QE-users] Infinity values in epsi and epsr files

[Lorenzo Paulatto]

Note: The following floating-point exceptions are signalling: IEEE_DENORMAL

It is not an error, not a message from quantum espresso, it is a message generated by some math library indicating that a denormal number has appeared during a calculation: https://en.wikipedia.org/wiki/Subnormal_number (https://link.getmailspring.com/link/1B578977-73E6-471F-910F-EC0F58F7C410@getmailspring.com/0?redirect=https%3A%2F%2Fen.wikipedia.org%2Fwiki%2FSubnormal_number&recipient=dXNlcnNAbGlzdHMucXVhbnR1bS1lc3ByZXNzby5vcmc%3D)
regards
--
Lorenzo Paulatto - Paris
On Dec 18 2021, at 5:05 pm, Olga Sedelnikova <o.sedelnikova at gmail.com> wrote:
> Dear Lorenzo,
> thank you for your answer.
> Now I restarted scf file I attached previously and got a message from pw.x: "Note: The following floating-point exceptions are signalling: IEEE_DENORMAL". Probably, it is the reason for m problem with epsilon.x? What can I do about it?
> Previously I used C.pz-vbc.UPF with the same scf, nscf and eps files, this error has never appeared.
> Thank you in advance,
> Olga Sedelnikova
> Nikolaev Institute of Inorganic Chemistry of SB RAS
>
>
>
>
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20211218/809de8a1/attachment.html>