20 Jul
2005
20 Jul
'05
12:06 a.m.
Hi Patrick, Hopefully this will do it. A disclaimer: I never actually tested this on an icosahedral material, and I did the coordinates by hand, so I can't guarantee it. --Scott Calvin Sarah Lawrence College
I am working with metal clusters and would like to do some FEFF calculations on icosahedral clusters. Is there anyone out there who has a FEFF input file (or equivalently a list of coordinates) for an icosahedral cluster (147 atoms is probably sufficient for my purpuses).