Siesta

Phonon calculation

Asked by chenhao

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.

Question information

Language:
English Edit question
Status:
Solved
For:
Siesta Edit question
Assignee:
No assignee Edit question
Solved by:
chenhao
Solved:
Last query:
Last reply:
Revision history for this message
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.

Revision history for this message
chenhao (guofudyiyasuo) said : 		#2

Okay,thank you very much.