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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