Dear Developers ,
Quick Question; Is the EXX routine working in version 5.0.1 ?
I am trying to run EXX_examples , and it gives me error in finding HSE and PBE0
for molecules?
x_gamma_extrapolation is this working for versions 5.0.1 or 4.3.2 ??
Thanks for your help
--
Best Regards,
Saeedeh R
Hi Dear all
What is difference between "London" and "van der Waals interactions"?
Bani Adam
Faculty of Science
Egypt
On Sep 2, 2012, at 6:09 , Elie M wrote:
> What is the reason for those LARGE negative values at the beginning
> and the LARGE ones at the end?
>
it is impossible to answer without the data and without trying to
reproduce them. Not that it irs possible even with the data:
reproducing a large phono
Dear Bani Adam,
http://en.wikipedia.org/wiki/Van_der_Waals_force
The "dispersion" / "London dispersion" is one of the components in the
van der Waals force/interaction. The dispersion is what is usually most
difficult to describe with the (semi-)local exchange-correlation
functionals, b
On Sun, Sep 2, 2012 at 6:09 AM, Elie M wrote:
> Dear all,
>
> Sorry to ask so many questions about computing phonon frequencies but
> recently i have got some strange results for one of the systems I am working
> on. My work involves computing phonon frequencies for a 42 carbon at the
> Gamma poin
d the
LARGE ones at the end? Is it because mixing_beta was changed?
Thanks for the help
Elie KoukaesUniversity of NottinghamNG7 2RDUK
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