<div style="line-height:1.7;color:#000000;font-size:14px;font-family:arial">Thank you very much Prof. Giannozzi, I think I caught your idea.<br><br><div>--<br>GAO Zhe<br>CMC Lab, Materials Science & Engineering Department,<br>Seoul National University, South Korea<br>
</div><div id="divNeteaseMailCard"></div><br><pre><br>At 2012-05-23 00:45:57,"Paolo Giannozzi" <giannozz@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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