[Pw_forum] EFG and NMR

Paolo Giannozzi giannozz at nest.sns.it
Tue Nov 8 10:01:09 CET 2005


On Monday 07 November 2005 15:37, Josef W. Zwanziger wrote:

> I notice in a "change-log" file from 2004 there is mention of an
> experimental version of chemical shift calculations using the 
> GIPAW formalism. Can one of the developers update me (and 
> the group) on the status of this project? 

the person who has been working on this project left and the 
job is unfinished. The incomplete code is in subdirectory Nmr/, 
available via anoymous CVS. This project should restart soon:
there is another person who is going to work on this

Paolo

-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy



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