[Pw_forum] Status of NMR?

[Konstantin Kudin]

 Dear Joe,

 I'll comment!

 At the risk of sounding politically unpopular :-), my suggestion is
the following. While you are waiting for NMR in QE, use CPMD for NMR
calculations. From what I have seen, it works quite well for that
purpose, and parallelization is excellent.

 Kostya 

 

--- Josef Zwanziger <jzwanzig at dal.ca> wrote:

> Dear Colleagues, 
> 
> I am wondering what the current status of the GIPAW NMR project is?
> In
> September it sounded like progress was good, but now I notice it has
> disappeared from the CSV download (no NMR_new directory, etc). Any
> comments?
> 
> Thanks,
> Joe
> 
> 
> -- 
> 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
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
> 



 
____________________________________________________________________________________
Sponsored Link

$200,000 mortgage for $660/ mo - 
30/15 yr fixed, reduce debt - 
http://yahoo.ratemarketplace.com