The code that I wrote is as follows:
1 clear
2 units metal
3 dimension 3
4 boundary p p p
5 atom_style atomic
6 lattice fcc 4.05 orient x 1 1 -2 orient y -1 1 0 orient z 1 1 1
7 region 1 block 0 2 0 2 0 2
8 create_box 1 1
9 create_atoms 1 box
10 pair_style eam/alloy
11 pair_coeff * * Al99.eam.alloy Al
12 dump 3 all custom 1 dump.coordinate xs ys zs
13 run 0
14 variable N equal "count(all)"
15 print "number of atoms equal ${N}"
16 print "all done"
Did I write the code correctly? and how I can find out about the periodicity in the atom position in each direction?
Thanks everyone
Dear Armin, you can use also the command "dump_modify 3 pbc yes" to remap the coordinates due to the periodic bondary conditions. Try to run in this way, and see if it works, as your code seems right.
Best wishes,
Guilherme.
Guilherme Da Silva Lopes Fabris I would appreciate your response and please accept my sincere apology appreciate your answer so late. It worked.
Thank you and best wishes too
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