On Apr 21, 2009, at 20:23 , ?? wrote: > I was going to calculating phonon frequency of MgB2 at Gamma point. > But I got the minus value at the lowest three branch.
See items 1.7.2 and 1.7.3 of http://www.quantum-espresso.org/wiki/index.php/ Frequently_Asked_Questions plus a large number of postings (search for "negative phonon frequencies") > I also wonder how to apply 'asr' to my calculation code dynmat.x Paolo --- Paolo Giannozzi, Democritos and University of Udine, Italy
