[Pw_forum] R: Re: HSE from PBE in an atomic system

[giacsport at libero.it]

Thanks Paolo.
                  I will.

Best,
Giacomo

>----Messaggio originale----
>Da: giannozz at democritos.it
>Data: 06/03/2012 10.14
>A: "giacsport at libero.it"<giacsport at libero.it>
>Cc: <pw_forum at pwscf.org>
>Ogg: Re: [Pw_forum] HSE from PBE in an atomic system
>
>On Tue, 2012-03-06 at 10:01 +0100, giacsport at libero.it wrote:
>
>> No eigenvalues were computed since the Gershgorin interval
>> initially used was incorrect.
>
>nice error message: best of the year until now.
>
>My guess is that HSE is still producing NaN's under some
>circumstances. Try to enable floating-point checks.
>
>P.
>-- 
>Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
>
>
>