[Pw_forum] The phonon frequency unit in matdyn.x v5.0

[GAO Zhe]

Thank you very much Prof. Giannozzi, I think I caught your idea.


--
GAO Zhe
CMC Lab, Materials Science & Engineering Department,
Seoul National University, South Korea
 



At 2012-05-23 00:45:57,"Paolo Giannozzi" <giannozz at democritos.it> wrote:
>On Tue, 2012-05-22 at 11:20 +0800, GAO Zhe wrote:
>
>> Now, in matdyn.x v5.0, if I did not set amass(i), the output frequency
>> would be in some other unit.
>
>output frequencies are in the same units, but maybe the mass is not
>what you expect, or what should have been. There have been some 
>changes in the internal units of mass. From Doc/release-notes:
>  * atomic masses in the code are in amu unless otherwise stated
>This might have some unexpected consequences. 
>
>P.
> 
>Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
>
>
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