On Monday 21 June 2010 08:04, Gianluca Giovannetti wrote: > i would appreciate much more to have Te Vanderbilt ultrasoft > pseudopotential.
why? the big advantage of ultrasoft PPs is to require a much smaller cutoff. In the case of Fe-Te-Se systems, Fe is by far the hardest element. The cutoff needed for ultrasoft Fe might well be sufficient for norm-conserving Te (and Se as well). P. -- Paolo Giannozzi, Democritos and Udine University
