Problm with generation of all symmetry mates using xplor

Jiansheng Jiang jiang at LAPLACE.CSB.YALE.EDU
Mon Jun 10 22:07:33 EST 1996



Just due to a mix of signs of translations along unit cells.

Try the following lines:

	coor fractionalize end
	vector do (x=sign(x)*mod(abs(x)+10,1)) ( all )
	vector do (y=sign(y)*mod(abs(y)+10,1)) ( all )
	vector do (z=sign(z)*mod(abs(z)+10,1)) ( all )
	coor orthogonalize end

Replace them in "unitcell.inp" (Page 269 Manual 3.1).

Jiansheng Jiang.




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