[xcrysden] Anatase primitive cell: Regarding

[Suresh A]

Dear Gavin Abo and Muthu,
                                      Thank you for your reply.
The two inputs which i have included  refers to anatase primitive cell. One
input file (first one) gives correct structure in XCRYSDEN and the other
one is also correct but the atomic positions are in relative to crystal
coordinates. The XCRYSDEN shows wrong structure for second file.


There is no need to change ibrav=7 and 6 more atomic positions for
primitive cell. So my input file is correct.




        With Regards,
A.Suresh,
Research Scholar,
Madurai Kamaraj University,
Madurai.
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