[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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