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["Ramirez-Cuesta, AJ \(Timmy\)" <A.J.Ramirez-Cuesta@rl.ac.uk>]

Sure,
I stated that hydrogen was involved in everything we tried!

Cheers

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Dr. Anibal Javier Ramirez-Cuesta
Scientist
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-----Original Message-----
From: Vincenzo Fiorentini [mailto:vincenzo.fiorentini@gmail.com] On
Behalf Of Vincenzo Fiorentini
Sent: 25 February 2006 19:25
To: forum@abinit.org
Subject: Re: [abinit-forum] references about vdW benchmarks

> if you get the right lattice parameters minimising the energy
> that is essentially wrong since you have ignored thermodynamics

I guess many of us will agree with you as far as zero-point energies  
of solids comprised of light elements (H, Li, etc.), and entropy of  
complex and light unit cells are c oncerned. However, I would argue  
your statement is *in general* a bit too stern, certainly for  
anything just heavy "enough". cheers - Vincenzo

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"My definition of an expert in any field is a person who knows enough  
about  what's really going on to be scared."   (PJ Plauger)

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