Hi everyone, I would like to know if anyone has experience working on paramagnetic defects in solids and using QE. I know that the 4.0 version is supposed to be able to calculate g-tensors and hyperfine constants but I am not sure how well it works for solids and how computationally demanding this type of calculations are.
Maybe you can give me a few suggestions based on your experience with QE. Thank you, Sanda -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090226/d882f7ee/attachment.htm
