Dear all, I have two doubts regarding Van der waals correction methods: There is no C6 value for Xe. Whether I can use for "london=.true." option for Xe base compounds???
Whether london=.true. for all functionals ( i mean, LDA, PW91, PBEsol) or explicitly for PBE only???? Thanks in advance with regards S. Appalakondaiah Research scholar University of Hyderabad Hyderabad India -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20131214/899e2fb8/attachment.html
