On Fri, 2014-11-07 at 14:14 -0500, David Strubbe wrote:
> Checking the documentation I see there is no option verbosity='high'
> for ph.x, and instead the equivalent is 'iverbosity=1'. I recommend
> that either the options are harmonized between the codes, or that the
> correct option be suggeste
-BEGIN PGP SIGNED MESSAGE-
Hash: SHA1
Thank you Paolo and Cyrille. I've got my hands on it now.
System has converged.
Thanks again.
On 11/06/2014 04:45 PM, Paolo Giannozzi wrote:
> Metallic slabs are sometimes difficult to converge.
> I tried with mixing_mod='local-TF' (works better for
On Sat, 2014-11-08 at 14:01 +0900, shuai wrote:
> I found some asterisks in the output of the EXX scf calculation. Is
> this a problem?
definitely so. PAW with hybrid functionals has still some serious
problems.
P.
> End of self-consistent calculation
>
> k = 0.1250 0.1250 0.125
Apparently the star is due to the fact that the number of actual digits is
longer than the number of max digits indicate in the printout format. For
example, if in the code the format is set to be 8.5f, and your band energy
is about -1000.0, then the star will show up instead of the actual value.
I
