amplitudes for Raman spectrum

Asked by Leonardo Fonseca

Hello everyone,

I am trying to calculate the Raman spectrum of several ceramics. With the available version of Vibra I get the frequencies but not the amplitudes. Without the amplitudes, comparison with experimental data is more difficult. The Siesta manual says that the Vibra version containing amplitude calculations is not currently distributed with the code but could be obtained by request. Does anybody have this tool and would be so kind to share it with me?

Thanks a lot, Leo.

Question information

Language:
English Edit question
Status:
Expired
For:
Siesta Edit question
Assignee:
No assignee Edit question
Last query:
Last reply:
Revision history for this message
Launchpad Janitor (janitor) said :
#1

This question was expired because it remained in the 'Open' state without activity for the last 15 days.