[ase-users] dumbell creation

[Darío Fdez-Pello Lois]

Dear all,

Does anybody know how to create a dumbell from a given structure?
I've tried this but without fortune:

[..]
li = BodyCenteredCubic(size=(N,N,N),symbol='Li',latticeconstant=a0)
li[5].position -= 1/2*d*u
new_pos = li[5].position + d*u
li.append(Atom('Li',(new_pos[0],new_pos[1],new_pos[2])))
li.calc = GPAW(mode=PW(ecut), xc='PBE', kpts={'size':
(k/N,k/N,k/N),'gamma': True}, usesymm=None)
dyn = FIRE(li,trajectory='d001.traj')
dyn.run(fmax=0.05)
mo.calc.write('d001.gpw')

Thanks in advance!!
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