-- Mensage Original
De: Fen Hong
Para: Miguel Eduardo Cifuentes Quintal
Asunto: Re: [SIESTA-L] How to explain *.FC file?phonon frequence is the same
with vibration frequence when the system is molecule?
Fecha: 01/03/10 22:02
>
> Dear Eduardo,Thank you very much, I can understand the Sï
-Mérida, México.
e-mail: mcifuen...@mda.cinvestav.mx
- Mensage Original
De: siesta-l@uam.es
Para: siesta-l@uam.es
Asunto: [SIESTA-L] How to explain *.FC file?phonon frequence is the same
with vibration frequence when the system is
Dear all,
I am trying to get the force constant matrix of water molecule, But I cannot
understand the output *.FC file well even I read the answer on the siesta-L.
I think there should be 3N*3N matrix in the *.FC file. actually, there is
only 54 coordination. As the siesta-L answered before, there
