).
Best regards,
Latha
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Use only positive values. Maybe the UG is not clear enough.
Am 03.12.2012 21:51, schrieb Jifeng Sun:
Dear Dr. Fecher,
Thank you for your reply. As I read from the user guide, those are the atom
idexes from *.struct file. And they are positive for cubic system, negative
for non-cubic
Dear Dr. Blaha,
Thank you so much, that helps a lot.
Regards,
Jifeng
PhD candidate
National High Magnetic Field Laboratory
Condensed Matter Science
Chemical Biomedical Engineering
FAMU-FSU College of Engineering
Florida State University
sun at magnet.fsu.edu
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