[Pw_forum] Status of NMR again

Josef Zwanziger jzwanzig at dal.ca
Fri Nov 17 14:25:47 CET 2006

Dear Colleagues and especially Davide Ceresoli,

First, thanks for the suggestions about CPMD, I had in fact checked into
that and had found as Davide points out too that it is implemented in a
way that effectively restricts it to light atoms, which is not the area
of the periodic table I'm working in.

More importantly, I'm concerned from Davide's reply that he or any of
the developers might think that I as a user do not appreciate their
contributions and the fact that it's not a commercial venture and they
have many other pressing issues. The fact is that I think pwscf is a
wonderful tool, beautifully executed and supported, and I am extremely
grateful for their efforts. I only wrote because, as a heavy NMR user,
this new feature will be especially important for me and my colleagues
in the community, and when I saw in the anonymous CVS download that it
no longer appeared, I became concerned that the project had been closed.
I am very happy to hear that it is going forward and look forward to
using it. 

Davide also points out that everyone can help in this project, and I
assume that includes me, so Davide, if you want to suggest specific
places I could help, we can discuss what I can do.

all the best, and thanks again to the developers for this project,

Josef W. Zwanziger
Prof. of Chemistry and Canada Research Chair in NMR Studies of Materials
Director, Atlantic Region Magnetic Resonance Centre
Dept. of Chemistry
Dalhousie University
Halifax, NS B3H 4J3 Canada

tel: 902.494.1960
fax: 902.494.1867
email: jzwanzig at dal.ca
web: http://jwz.chem.dal.ca

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