Thanks,
On Thu, 8 Mar 2007, Eduardo Anglada wrote:
Dear You Lin,
Yes, they are bohr/fs. The XV uses the internal units of siesta: Ry, Bohr,
fs.
Regards,
Eduardo
On 08/03/2007, at 16:29, You Lin wrote:
Hi, dear siesta developers:
I'm trying to make change to .XV file. It looks like there's no document
about its format. Then I made a guess:
The first three lines must be the cell shape and cell velocity. Fourth line
looks like number of atoms. The following lines are positions and
velocities of each atom.
Now the problem is the unit. It looks like the cell shape and atom
positions are in the unit of Bohr. But how about the velocities? Are they
in the unit of Bohr/fs?
Thanks for clarifications.
Sincerely,
************************************************
Physics explains everything!
-- You Lin
************************************************
________________________________________
You Lin
Department of Physics
University of South Florida
4202 East Fowler Avenue
Tampa, FL 33620
________________________________________
Tel: (813) 974-8233 [Office]
Fax: (813) 974-5813
Homepage: http://shell.cas.usf.edu/~ylin
________________________________________
************************************************
Physics explains everything!
-- You Lin
************************************************
________________________________________
You Lin
Department of Physics
University of South Florida
4202 East Fowler Avenue
Tampa, FL 33620
________________________________________
Tel: (813) 974-8233 [Office]
Fax: (813) 974-5813
Homepage: http://shell.cas.usf.edu/~ylin
________________________________________
