[Pw_forum] Can anyone help me explain what do the terms in *.fc file means?

Paolo Giannozzi giannozz at democritos.it
Fri Sep 12 16:03:22 CEST 2008


Zhen Huang wrote:

> What does the output mean in the gra.fc file.

it means nothing: none of your business, as long as there
are no error messages. Once force constants are calculated,
you use them via the matdyn.x code.

>    1   1   1   1 (what do the indexes represent? 1 for what)
>    1   1   1   2.24617477868E-01 (what is this value and in what unit?)

what did you do instead of readinfg my previous message?

-- 
Paolo Giannozzi, Democritos and University of Udine, Italy


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