[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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