Dear all, I have recently realized that the code resp_mat.f90, contained in some tutorials on LDA+U calculations (e.g., from http://vlab.msi.umn.edu/events/lecture.shtml) and used to compute U, has some problems and doesn't work as expected. I have realized this on a hexagonal system but I'm not sure yet if the problem manifests itself also with other crystal structures.
Hoping that not many people were using it I apologize for the inconvenient. I also hope to provide a fix in short time. regards, Matteo -------------- next part -------------- A non-text attachment was scrubbed... Name: matteo.vcf Type: text/x-vcard Size: 294 bytes Desc: not available Url : http://www.democritos.it/pipermail/pw_forum/attachments/20081205/7359fd01/attachment.vcf
