-------------------------------------------------------- README FOR USPP 7.3.6 PSEUDOPOTENTIAL GENERATION PROGRAM -------------------------------------------------------- This distribution contains version 7.3.6 of the "ultrasoft pseudopotential" (USPP) generation code from the group of D. Vanderbilt, Rutgers University. This code is freely distributed. You may use it for your own research purposes, or pass it on to others for similar use. However, note the following restrictions: 1. The code is not guaranteed to be bug-free. 2. The quality of the pseudopotentials generated by the provided input files is not guaranteed. 3. No active support is provided for this package. 4. The code may not be used for profit-making purposes or included in any commercial code except by express arrangement. Version uspp-7.3.3 should be functionally identical to the previous distribution known as a7.3.2. All the significant modifications are in the "packaging," i.e., the directory structure, the Makefiles, the sample files, etc. Two important modifications are that: -- The GNU GPL License is now explicitly included as a header of each source file. See Source/LICENSE. -- The Work subdirectory contains a library of input files that can be used to generate a library of pseudopotentials that will hopefully grow to cover many atoms of the periodic table. Version uspp-7.3.4 and subsequent versions include minor compiler compatibility improvements, bug fixes, and Uspp2Abinit compatibility enhancements, as detailed in the Source/README file. See the file AA-QUICK-START to find out how to compile and run the program and generate the library of pseudopotentials. Users who wish to experiment with generating their own pseudopotentials should start by consulting the file Doc/TUTORIAL. This is the closest thing there is to a "User Manual," but it is not as complete as I would like. So beware that this process may not be entirely painless. Users are strongly encouraged to donate their input files to expand the library of available potentials. See AA-SUBMISSIONS for more information about how to do this. Note that the version number (currently 7.3.3) will NOT change just because of additions to the library of input files. Check the LAST-MODIFIED date in the Work/ directory to see if you have the latest version of the library. See Source/README for a summary of improvements that were made to the source codes from one release to the next. More information about the release history can also be found in the comments at the beginning of the main program runatom.f. Please direct comments or suggestions for improvement to David Vanderbilt at dhv@physics.rutgers.edu. David Vanderbilt December 2006 ------------------------------------------------------------------------ Prof. David Vanderbilt Phone: (732) 445-2514 Department of Physics and Astronomy Fax: (732) 445-4400 Rutgers University Email: dhv@physics.rutgers.edu 136 Frelinghuysen Road http://www.physics.rutgers.edu/~dhv Piscataway, NJ 08854-8019 USA ------------------------------------------------------------------------