[xcrysden] How does xcrysden calculate and show the length of the force!
Yingli Niu
xcrysden@democritos.it
Sat, 2 Dec 2006 01:15:15 -0800 (PST)
Dear all,
Have you ever plot forces using xcrysden?
e.g. there are 2 atoms in the primitive
cell(case.xsf):
6 0.00 0.00 0.00 0.00 0.00 1.00
6 0.25 0.25 0.25 0.00 0.00 2.00
Surely you can set the data:
6 0.00 0.00 0.00 0.00 0.00 1.00
6 0.25 0.25 0.25 0.00 0.00 3.00
But you will find the length of force of atom 2 is
more longer than atom1. It is not 1:2 or 1:3 .
Is it a bug?
I have download the C source file.
Where is the code the plot the force?
How can I fixed it?
Best Regards!
Yingli Niu
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