Dear PWSCF users. I would like to know the present status of use LDA+U in phonon calculation. Further, the problem in rare-earth materials due to f-electron need justification, how we overcome this issue in phonon calculations?
Please suggest me. Best Regards Sanjeev -- *Dr. Sanjeev Kumar Gupta* *Post Doctoral Fellow, (Ministry of New and Renewable Energy) Department of Physics, Bhavnagar University, Bhavnagar-364 022 Gujarat, India* -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120420/71f9e547/attachment.htm
