[Wien] somethint about the symmetry in the struct file
姜若诗
ruoshijiang at sjtu.edu.cn
Fri Jan 11 08:33:06 CET 2019
Hello,I want to ask something about the symmetry matrix in the case.struct.
If I change the order of the symmetry matrix in the case.struct. For example, the first matrix is not unitary,I change the eighth matrix and the first matrix in the case.struct_st in ordet to make sure the first one is unitary,then I run it.Will it have some influence to my result?
Wish your reply.
Sincerely
Jasmine
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20190111/187a46d5/attachment.html>
More information about the Wien
mailing list