Hello Bipul,
I was having same problem some time ago. It was due to that, i was putting
atoms at the both initial and final position of lattice constant i.e if my
lattice constent is 4.26 in z direction then i was puting atoms along z
direction at initial point i.e. at 0 and final position i.e. 4.26 . And when
siesta was generating supercell in z direction it repeate cell in terms of unit
cell i.e. lattice vector. So initial point for next cell was at 4.26 along z
direction where i have already placed atom . So siesta get two atoms at the
same position and printing warning like mensioned by u.
It u have given the same input as me then u can just remove the atoms from the
final positions of lattice constents.
Good luck.
Vikas Thakur.
bipul rakshit <[EMAIL PROTECTED]> wrote: hello siesta user,
when some time doing MD or Vibra, these type of messages comes.......
what is the reason behind that...........and how correct it??
siesta: WARNING: Atoms 235 243 too close: rij = 0.000000 Ang
siesta: WARNING: Atoms 236 244 too close: rij = 0.000000 Ang
siesta: WARNING: Atoms 237 241 too close: rij = 0.000000 Ang
siesta: WARNING: Atoms 238 248 too close: rij = 0.000000 Ang
siesta: WARNING: Atoms 239 249 too close: rij = 0.000000 Ang
siesta: WARNING: Atoms 240 250 too close: rij = 0.000000 Ang
siesta: WARNING: Atoms 241 249 too close: rij = 0.000000 Ang
siesta: WARNING: Atoms 242 244 too close: rij = 0.000000 Ang
siesta: WARNING: Atoms 243 245 too close: rij = 0.000000 Ang
siesta: WARNING: Atoms 244 246 too close: rij = 0.000000 Ang
siesta: WARNING: Atoms 245 249 too close: rij = 0.000000 Ang
siesta: WARNING: Atoms 246 248 too close: rij = 0.000000 Ang
siesta: WARNING: Atoms 247 249 too close: rij = 0.000000 Ang
siesta: WARNING: Atoms 248 250 too close: rij = 0.000000 Ang
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