[gpaw-users] about vdW-DF

[Duy Le]

Thank Lara. I noticed that. I think we can close this case. I will
have further investigation.
Best, D.
--------------------------------------------------
Duy Le
PhD Student
Department of Physics
University of Central Florida.

"Men don't need hand to do things"



2010/6/14 Jens Jørgen Mortensen <jensj at fysik.dtu.dk>:
> On Mon, 2010-06-14 at 11:10 +0200, Lara Ferrighi
> <lara.ferrighi at inano.dk> wrote:
>>         > Dear all,
>>         >
>>         > Maybe you will find that this message is not relevant to
>>         GPAW but I don't
>>         > know where to post this it.
>>         > Recently, It came to my mind that there must be a strange
>>         thing with vdW-DF
>>         > calculation.
>>         >
>>         > 1. Toyoda et al, Sur. Sci. 603 2912 (2009) reported that
>>         binding energy of
>>         > Benzene on Cu(111) and Au(111) are about 0.55eV  (STATE+
>>         their own non-local
>>         > code)
>>         > 3. Wellendorff et all, Top. Catal. 53, 378 (2010) reported
>>         that binding
>>         > energy of Benzene on Au(111) is 0.42eV (GPAW, Grid-spacing
>>         0.20)
>>
>>         Hei,
>>           I've also been looking at some of these paper and aren't
>>         they
>>         considering different absorption sites? I think 1 considers
>>         hcp and 3
>>         considers the on-top and hcp should be the most stable as far
>>         as I
>>         understood.
>>
>>         Best, Lara
>
>