[molpro-user] Printing of Orbital Coefficients

[Evans, Dr C.J.]

Hello All,

Is there anyway of printing the orbital coefficients in scientific format (i.e. 1.140423456E-01). The default for 'print,orbitals' looks like this: 

 

   Orb  Occ    Energy  Couls-En    Coefficients

   1.1   2   -40.4672 -103.3460  0.000000  0.000002  0.000009 ...  
                                 0.114042  0.225238  0.337700 ... 
                                 0.000057 -0.000024  0.000006 ...  
                                -0.000039 -0.000002 -0.000003 ... 
  						...      ....      ...

As you can see values like 0.000057 and -0.000024 are not very useful!!

Any help will be much appreciated.

Cheers

 
Dr Corey Evans
Department of Chemistry
University of Leicester
Leicester, LE1 7RH, UK

phone (office): +44 (0)116 252 2088 
Fax.          : +44 (0)116 252 3789