Re^5: Input data of SiF4(in English) ---It seems a bug of AkaiKKR.

Posted on : March 17, 2003 (Mon) 11:31:07

by Misako Iwasawa

Thank you for your helpful advice.

I have a question.

In bcc, the point (0,0,0) is expanded to (0.5a, 0.5b, 0.5c) automatically.
How about another point ? For example, (0.33a, 0.33b, 0.33c).
Is it expanded to (0.83a, 0.83b, 0.83c) automatically ?