So sorry for my mistake. The issue is https://gitlab.com/QEF/q-e/-/issues/345.
On Thu, Jul 1, 2021 at 11:49 PM Feifei Tian <[email protected]> wrote: > Thanks for your test. I have opened an issue in gitlab ( > https://gitlab.com/QEF/q-e/-/issues/343). > > On Thu, Jul 1, 2021 at 6:01 PM <[email protected]> > wrote: > >> >> Date: Thu, 1 Jul 2021 09:53:43 +0200 >> From: Lorenzo Paulatto <[email protected]> >> To: Quantum ESPRESSO users Forum <[email protected]> >> >> Subject: Re: [QE-users] "a" "b" values in "xanes.save" show "NaN" in >> xspectra calculation >> Message-ID: <[email protected]> >> Content-Type: text/plain; charset="utf-8" >> >> I could reproduce the problem, but I do not have the time to look for the >> root cause at this point. Could you open a bug report in the tracker ? >> https://gitlab.com/QEF/q-e/-/issues >> Anyway, just to clarify, the xspectra code does work in many cases. It >> could be a problem with the code or the pseudopotential. >> cheers >> Dr. Lorenzo Paulatto >> IdR @ IMPMC - CNRS UMR 7590 & Sorbonne Universit? >> phone: +33 (0)1 442 79822 / skype: paulatz >> http://www.impmc.upmc.fr/~paulatto/ >> 23-24/423 B115, 4 place Jussieu 75252 Paris CX 05 >> On Jun 28 2021, at 4:04 am, Feifei Tian <[email protected]> wrote: >> >> End of users Digest, Vol 168, Issue 1 >> ************************************* >> >
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