Fortan Codes for PHYCS 498CQM

The codes are written in FORTRAN 90, free format style (except the first simpler codes that can also be compiled with a F77 compiler). A Makefile is included for each group of codes. For help for understanding makefles see make help. (For different computers the makefiles must be modified according to the manufacturer's specifications.)

To download the files to a file on your computer using a browser, hold down the shift while clicking with the mouse. To decompress gz files, use gunzip. To untar files, use tar -xvf name.tar 

Test Program for class. Compile with f90 command on HP, Sun, or DEC (may differ on other computers). This will produce an `a.out' executable file. The program also may be compiled using a simple Makefile; type make test.
  • Basic codes for quadrature, root finder and semiclassical routines.

    • Modular F90 codes for 1-d and radial Schrodinger equation using Numerov method

  • Gzipped Tar file for integrating the 1D or Radial Schrodinger Outward to find scattering phase shift. Uses Numerov Method. Written by T. Wilkens.
  • Gzipped Tar file For finding bound states of 1D or Radial Schrodinger Eq. Integrates outward and inward and matches with a bisection Algorithm. Uses Numerov Method. Written by T. Wilkens.
  • Link to codes for Atomic calculations in the Hartree Fock approximation. Full non-sperical atomic (on-relativistic) codes that find the bound states of the Radial Schrodinger Eq. Integrates outward using Numerov Method. Written by T. Wilkens.

    • Gzipped Tar file of Programs for atomic calculations in the Local Density approximation (presently only for spin unpolarized.

    Gzipped Tar file of Programs for Plane Wave empirical potential and empirical tight-binding calculations for bands in crystals written by W. Mattson.
    The makefile included in the main directory must be edited for different machines. It calls makefiles in the subdirectories that do not need to be edited. You must link to LAPACK libraries on your machine. Links for the MRL DECs, EWS workstations (working 4/2001) are included.

    Codes Below not available yet

    Programs for Monte Carlo Calculations:

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    Last Modified April 6
    Email question/comments/corrections to rmartin@uiuc.edu