[Pw_forum] MgH2 (input file)

[Winfred Mulwa]

Dear all,
   I have created the above inputfile, and when i visualize it in xcrysden,
there is bonding between two magnesium
atoms which is not supposed to be the case. I have tried changing the
lattice parameters but it doesn't seem to be
working. Can any one help?

Mulwa Winfred.
M Phil Student, Computational Material Science Group,
Chepkoilel University College
Eldoret, Kenya.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20111019/2bbac41c/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: mg.scf.in
Type: application/octet-stream
Size: 991 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20111019/2bbac41c/attachment.obj>