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Bob, whatever magic you did - it fixed the atom duplication. However, I think the unit cell should have only 9 atoms, not 10.  The Mg atom (0.0 0.0 17.59) pointed to by the arrow should be in the next cell, shouldn't it?. I'm afraid that I did not catch the meaning of what I should do about "REMARK 290". Anyhow, thank you very much for this incredibly fast turn around. Are you going to release your fix soon? Greets, Hans On 11/29/2011 8:09 PM, Robert Hanson wrote: Hans, |
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