Hello, I have been looking at the GIPAW modules in the 4.0cvs pre-release, and while I can compile and run the example without problem, it's not clear how to make pseudopotentials for GIPAW for other atoms. I notice that the given test pseudopotentials, for silicon for example, include blocks of GIPAW specific data, but I can't find any corresponding options in the ld1 input files or for that matter the ld1 source code that corresponds to these options. Also unclear is whether the GIPAW module as currently available works with non-norm-conserving data, or currently only with norm-conserving data. Any clarification would be helpful.
thanks, Joe -- Josef W. Zwanziger Canada Research Chair in NMR Studies of Materials Director, Atlantic Region Magnetic Resonance Centre Dept. of Chemistry and Inst. for Research in Materials Dalhousie University Halifax B3H 4J3 Canada +1 (902) 494-1960 jzwanzig at dal.ca http://jwz.chem.dal.ca On sabbatical January-July 2008 Max Planck Institute for Polymer Research Mainz, Germany
