[molpro-user] Unit of Derivative coupling

[Rameswar Bhattacharjee]

Dear all molpro users,
I  am using molpro for calulating derivative coupling.One portion of my
output file is as following
-------------------------------------------------------------------------

 Atom          dE/dx               dE/dy               dE/dz

   1        -0.005722483        -0.013337155         0.000000006
   2         0.003099934        -0.003345740         0.000000003
   3         0.001271960        -0.004846354         0.000000002
   4         0.014015774        -0.000969727        -0.000000013
   5         0.012512332         0.023053556         0.000000033
   6        -0.026184884         0.001113852        -0.000000040
   7         0.015707466         0.008386335         0.000000004
   8         0.000122979         0.017890593        -0.000000006
   9        -0.015520467         0.008812564         0.000000007
  10        -0.015106043        -0.009375853         0.000000006
  11         0.000317360        -0.018095719        -0.000000008
  12         0.015486071        -0.009286351         0.000000005
--------------------------------------------------------------------------------------------

Now I am confusing about the unit of dE/dx,an others.Is it in atomic
unit(*Hartree/Bohr)
or  (*ev/angstrom). Any clarification would be highly appreciated.Thanks

Regards
Rameswar


-- 
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*"The man who makes no mistakes does not usually make anything."*
*                                  Edward John Phelps (1822-1900)*
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Rameswar Bhattacharjee
Junior Research Fellow
Dept. of Spectroscopy
Indian Association for the Cultivation of Science
Jadavpur, Kolkata-32
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