Dear all, while calculating the nmr spectra using gipaw, is it necessary to use the paw pseudopotential for all the atoms or is it sufficient if we use the paw pseudopotential for the element for which we want to calculate the spectra?
With regards, Prasenjit -- PRASENJIT GHOSH, IISER Pune, First floor, Central Tower, Sai Trinity Building Garware Circle, Sutarwadi, Pashan Pune, Maharashtra 411021, India Phone: +91 (20) 2590 8203 Fax: +91 (20) 2589 9790 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120616/5c273e30/attachment.htm
