atom loss

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1

Hi everyone,

I simulated an alloy structure with 14 atoms. After I set the 14 atoms’ fractional coordinates using lattice command, its run result had only 11 atoms. And I also set the corresponding to the atom element using create_atoms command.
Where is the problem?

Best regards,

Pan

2

How many atoms you get when you use
create_atoms is a function of the box you
are filling and the lattice. If the box
does not match the lattice, you may get
more or less atoms than you expect.

Steve