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
_______________________________________________
Wien mailing list
[email protected]
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:
http://www.mail-archive.com/[email protected]/index.html