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Interchange b and c, beta and gamma and all v and w coordinates.
Am 30.04.2012 07:12, schrieb Bheema Lingam Chittari:
Dear Wein2k user's
I am facing difficulty to generate Monoclinic
base-centered, unique b-axis (space Group: C2 (Number:5)) structure,
You created somehow a supercell, but you have a strange b-lattice parameter:
7.59395 7.59396 155.16510 90.0 90.0 120.0
Is it intended that a and b differ by 0.1
If you make them identical, everything works.
If you want them different, make them clearly different,
www.numis.northwestern.edu 1-847-491-3996
Research is to see what everybody else has seen, and to think what
nobody else has thought
Albert Szent-Gyorgi
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5-B2 is the same as 5-C2, only with interchanged axes.
Am 30.04.2012 12:16, schrieb Bheema Lingam Chittari:
Dear sir,
Thank you sir for the reply, But even though I interchange the
b and c, beta and gamma and all v and w coordinates, I could not able to
generate actual
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Thanks and Regards
Arqum Hashmi
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