[Wannier] graphene +organometallic complex

[Stefan Badescu]

     Dear Professor Yates,

     I wanted to thank you for the hints on this. Indeed, removing the 
deep states for Cr and fixing the error on radial nodes improved things 
quite a bit.

     If I stumble over other difficulties as I move on to larger systems 
I may follow up with a couple more questions.

     Yours sincerely,
     --Stefan

On 8/26/2010 1:15 PM, Jonathan Yates wrote:
> On 20 Aug 2010, at 13:05, Stefan Badescu wrote:
>
>    
>> Thank you for any hint! Would it make sense to send my input files by
>> email?
>>      
> Stefan,
>
>   I didn't see anyone post a reply to your question.
> I've not worked with such systems. But if we could see the *.win and *.wout files it would be easier to say something (put them on some temporary webspace if they are large)
>
>   Thanks
>    Jonathan
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