Quoting Adam Jacobsson <adams_mejl at hotmail.com>: > My first thought was that the program wanted the direction from where > to approach the gamma point as a limit. Is that the case?
yes. If you specify a direction for q, dynmat.x will calculate the LO-TO splitting; if you specify q=0, it will not calculate it. Paolo -- Paolo Giannozzi, Democritos and Udine University ---------------------------------------------------------------- This message was sent using IMP, the Internet Messaging Program.