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,
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Physics explains everything!
-- You Lin
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You Lin
Department of Physics
University of South Florida
4202 East Fowler Avenue
Tampa, FL 33620
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Tel: (813) 974-8233 [Office]
Fax: (813) 974-5813
Homepage: http://shell.cas.usf.edu/~ylin
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