Phonon calculation

Asked by chenhao on 2017-10-18

Using vibra to calculate the phonon of H4SiO4 .It always warned that "ERROR: In fcbuild, dimension maxa = 8. It must be at least 9",I find there's a line of code in Util/Vibra/Src/vibra.h "parameter (maxa =8)".According to the error,I change (maxa =8) to (maxa =100),and recompile the code.And then when I do the calculation again,there is no error message............
Can I do like this?
Does this make the calculation inaccurate?
Please help me ,thank you.

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chenhao
Solved:
2017-10-18
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2017-10-18
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2017-10-18
Nick Papior (nickpapior) said : #1

Yes, that is allowed.

Currently, vibra is using hardcoded sizes, so that is the way to do it.
All sizes in vibra.h is opt for changes dependent on the system size.

chenhao (guofudyiyasuo) said : #2

Okay,thank you very much.