Number of atoms in the unit cell does not calculate correctly in spinwavecalcfile

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When running the dispersion calculation on the attached files, the number of 
atoms in the unit cell is calculated to be 19.  Besides being a prime number, 
we have on paper that it should be 16 atoms.  Having more atoms than needed 
makes calculation completion time take much longer. 

Attached are the spin and montecarlo files.

Original issue reported on code.google.com by wfly...@gmail.com on 22 Jun 2010 at 6:09

Attachments:

• yang_montecarlo.txt
• yang_spins.txt