[Wannier] graphene +organometallic complex
stefan.badescu at nrl.navy.mil
Mon Aug 30 19:24:54 CEST 2010
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.
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
> 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)
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