PRPAD Program Code
This is the working BETA version of the path-reverse
PAD program and the modified SATLEED libraries it makes use of.
The prpad program is being developed by M. D. Pauli, A. Wander, and
D. K. Saldin based as reported in Physical Review B 64 (2001).
See the short descriptions for each part.
Path-Reversed Layer Calculation of Diffraction Intensities
Reads in layer description of structure and calculates multiple scattering
diffraction intensities. The code is still at the stage where it requires
manual editting to set various values; i.e. which layer you desire to extract data from for
calculating intensities is controlled by if statements.
- tleed.o is generated with program run information useful for verifications
- fort.4x is filled with the diffraction intensities ordered by theta, phi or
by kx=sin(theta)cos(phi), ky or by kx=(theta/100)sin(phi), ky. The label 4x,
where the x stands for the orbital angular momentum
value that is the emission channel for the excited electron, causes a separate
file to be created for each electron; i.e. 40 for s, 41 for p, 42 for d, etc..
Subroutines from SATLEED used by prpad.f
SB1 subroutines are those required only by TLEED1, SB12 subroutines are those required
by both TLEED1 and TLEED2.
Original versions obtained from M.A. Van Hove at Lawrence Berkeley National Laboratory, Version
4.1 of the Barbieri/M.A. Van Hove Symmetrized Automated Tensor LEED package. See
LBNL Surface Theory group.
Running the Code Suite
An example Makefile useful for running the program.
Created: January 03, 2002 --- Last Updated: January 03, 2002
By Mark D. Pauli