Dear Axel
I make a primitive crystal and then make suppercell and then transform it to orthogonal cell to do simulation on it. I have don all of it by crystal maker and create a xyz file. I have used topotools to convert it to a data file to simulation. I have attached the pic, that created by topotools.
1- I cant understand why it was happend?
2-what should I do to correct it?
thanks
Hadi
Dear Axel
I make a primitive crystal and then make suppercell and then transform it
to orthogonal cell to do simulation on it. I have don all of it by crystal
maker and create a xyz file. I have used topotools to convert it to a data
file to simulation. I have attached the pic, that created by topotools.
1- I cant understand why it was happend?
...and i cannot understand what your problem is.
2-what should I do to correct it?
topotools obviously did what you asked it to do. there is nothing to
correct. you cannot blame the script if what you tell it is not what
you want.
axel.