[Pw_forum] dynmat.x
giannozz at democritos.it
giannozz at democritos.it
Mon Dec 29 21:22:38 CET 2008
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
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