[Pw_forum] seeking transition metal oxide atomic positions and cell vectors
Yaser Rehem
yrehem at mac.com
Tue Mar 11 20:49:52 CET 2008
Dear All-
Can anyone provide me with a the atomic positions and cell vectors for
an intercalated transition metal oxide, e.g. NaFe02, or LiCoO2, or
LiNiO2, or LiMnO4 ... you get the picture.
I've been unable to find any online. I could make my own, but the
structure is too large for me to relax in any reasonable time on my
little system if the coordinates are far from optimal.
Thank you!
-Yaser Rehem
Rehem Research & Consulting
More information about the users
mailing list