Example of the command DEBROGLI


In this example, I have added illustrative comments in brown to the actual output of the run. In addition, the various commands have been linked to the corresponding help files
Initiate execution of your code
% hib_arn2_251

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           HIBRIDON SCATTERING CODE V 4.0 03/11/96 11:27:53 EST

     AUTHORS: M. ALEXANDER, D. MANOLOPOULOS, H.-J. WERNER, B. FOLLMEG
 CONTRIBUTORS: D. LEMOINE, P. VOHRALIK, G. COREY, R. JOHNSON, T. ORLIKOWSKI
               A. BERNING, A. DEGLI-ESPOSTI, C. RIST, P. DAGDIGIAN, B. POUILLY
               G. VAN DER SANDEN, M. YANG
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read in the input file, note that the name is in lower case.
the first character will be converted automatically to upper case) 
 Hibridon> inp=arn2_test.inp  
 ibm4> hib_arn2_251

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           HIBRIDON SCATTERING CODE V 4.0 03/16/96 09:32:53 EST

     AUTHORS: M. ALEXANDER, D. MANOLOPOULOS, H.-J. WERNER, B. FOLLMEG
 CONTRIBUTORS: D. LEMOINE, P. VOHRALIK, G. COREY, R. JOHNSON, T. ORLIKOWSKI
               A. BERNING, A. DEGLI-ESPOSTI, C. RIST, P. DAGDIGIAN, B. POUILLY
               G. VAN DER SANDEN, M. YANG
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 calculate the deBroglie wavelength for the current energy of 500 cm-1
(as defined in the input file 
/hib41/tests/Arn2_test.inp 
Hibridon> debrogli
   de Broglie wavelength  =   .537 bohr / 5  =   .107
   wavevector = 11.696     Bohr^-1 =  22.101     Angstroms^-1
change the energy
 Hibridon> energy=3456
 ** NERG HAS BEEN RESET TO  1
recalculate the deBroglie wavelength
 Hibridon> debrogli
   de Broglie wavelength  =   .204 bohr / 5  =   .041
   wavevector = 30.749     Bohr^-1 =  58.106     Angstroms^-1
terminate execution
 Hibridon> quit

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