--------------------------------------------------------- SUBMISSIONS TO THE LIBRARY OF PSEUDOPOTENTIAL INPUT FILES --------------------------------------------------------- Users who wish to contribute a set of pseudopotential input files to be included in the library are strongly encouraged to do so. Please try to follow the naming conventions in Work/README in naming your subdirectory, and please try to follow the templates in the Work/000-Ex/ regarding the contents of your directory and the format of the Makefile. In particular, please be sure to include a README file in your directory, following a format similar to that of the examples examples in Work/000-Ex/*/. The more information you can include about tests in the atomic, molecular, and solid-state environment, the better! Especially useful are convergence tests of properties vs. plane-wave cutoff. When ready, please: -- Do 'make clean' in your subdirectory to clear out all but the Makefile and *.adat files. -- Go one level above your subdirectory and type tar cf [name].tar [name] gzip [name].tar where [name] is the name of your subdirectory. -- Email the [name].tar.gz file to me as an attachment. We will then make some effort to check that your pseudopotential generates as expected, etc. If accepted, the subdirectory will be installed in the master distribution. David Vanderbilt July 2002 ------------------------------------------------------------------------ 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 ------------------------------------------------------------------------