Dear all, Has GIPAW been included for calculations using smearing? Some early posts says that it has not been done.
I want to calculate the nmr spectra of a system which is magnetic and for that I need to use smearing. So I was wondering whether in the latest version of QE, GIPAW with occupations smearing has been implemented or not. 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/20120712/8eef2f8f/attachment.htm
