RL:
<http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20091213/f2815cbe/attachment.htm>
zhou
-- next part --
An HTML attachment was scrubbed...
URL:
<http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20091213/2423da3c/attachment.htm>
- next part --
An HTML attachment was scrubbed...
URL:
<http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20091213/708cf156/attachment.htm>
Hi,
in inorb you ask for 2 atoms (natorb), and in indm have set only one atom.
Robert
On Sunday 13 December 2009, JUPHY SANJAY wrote:
> Respectecd Prof. P.Balha,
> Sir,
> I am doing LDA+U calculation. My case.inorb file is
> 1 2 0 nmod, natorb, ipr
> PRATT 1.0
4 matches
Mail list logo