Dear Developers and users, I am interested in studying a compound LaMgTl. I have taken the lattice parameter and positions from this paper
Ternary Thallides REMgTl (RE = Y, La – Nd, Sm, Gd – Tm, Lu) Rainer Kraft and Rainer P¨ottgen Institut f¨ur Anorganische und Analytische Chemie, Westf¨alische Wilhelms-Universit¨at M¨unster, Corrensstraße 36, D-48149 M¨unster, Germany Reprint requests to R. P¨ottgen. E-mail: pott...@uni-muenster.de Z. Naturforsch. 60b, 265 – 270 (2005); received October 4, 2004 I generated the structure file . I am able to run nn, and sgroup While running symmetry i get a error as 2 missing In the structure file Tl atoms are removed. I used the positions as follows Atom Position La 0.4237 0 0 Mg 0.755 0 0.5 Tl 0.6666 0.33333 0.5 Tl1 0. 0. 0. I will be thankful if I get some help I am using the recent version of WIEN Regards and greetings Rajagopalan -- * Dr M.RajagopalanEmeritus Scientist (CSIR)Crystal Growth Center 20 6th Main RoadAnna Univer sity ChromepetChennai 600 025 Chennai 600 044Phone # 22213023 (R) 22359208 (O)Mobile 9445125709*
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