[Wien] strange electron density image

[Donghui Guo]

Dear all,

I am calculating the electron desity of TiC. The result showed the electron density in an about 4*4 region around the origin point (0, 0, 0) is different to the exterior, which should be correct part. Could you please tell me why it happend?

Please let me know if there is a way or space to show image.        

Thank you for your help.


Best regards, 
Yours, 
Donghui Guo
2008-10-09


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Donghui Guo 
Catalysis Research Center (CRC)
Hokkaido University
21-10 Kita, Sapporo 001-0021
Japan
dhguo at cat.hokudai.ac.jp
TEL: +81-11-706 9114 (office)
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