[CPMD-list] what's the units of velocity?

[Axel Kohlmeyer]

On Thu, 15 Nov 2007, #ZHU XI# wrote:

ZX>  
ZX> Dear cpmd users
ZX>  
ZX> can anybody tell me what's the units of  the velocity in 
ZX> "VELOCITIES ... END VELOCITIES
ZX> Section: &ATOMS"
ZX>  in the manual I can't find it.

the units in the input file follow
the internal units of cpmd, i.e. they
are in hartree atomic units. the only
exceptions are (most) length related 
parameters, where the ANGSTROM flag
changes triggers those values converted
from angstrom based units to atomic units
upon reading the input file. for details,
please have a look at the source code.

cheers,
   axel. 

ZX>  
ZX> Thanks in advance.
ZX> 

-- 
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Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
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