[交流] 【求助】Diamond 画图出现问题 已有2人参与

Originally posted by chwlp at 2010-08-04 11:09:31:

我把空间群改了以后，虽然能长，但是结构怎么也变了呢？我是按照SHELXTL里的空间群改的，这是咋回事呢？

Originally posted by liuhaonk at 2010-08-04 10:32:50:
Mostly, this is caused by a wrong definition of space group. Reselect the right space group from the "Structure->Space Group" menu.

Originally posted by liuhaonk at 2010-08-04 11:28:04:

All I can advice is triple check if the space group and cell parameters using in Diamond are consistent with those used to get the final structure.

Note that some space groups contain non-form ...