Dear Colleagues, I am very excited about the current version of PWSCF/Espresso as it explicitly includes EFG calculations for NMR. I am currently using this code for a variety of things and it is performing great. 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?
Thanks much, Joe Zwanziger Josef W. Zwanziger Prof. of Chemistry Canada Research Chair in NMR Studies of Materials Director, Atlantic Region Magnetic Resonance Centre Dalhousie University Halifax, NS B3H 4J3 Canada tel: 902.494.1960 net: jzwanzig at dal.ca fax: 902.494.1867 web: http://jwz.chem.dal.ca
