[Wannier] Wannier90/ABINIT problems

[Jonathan Yates]

On 24 Feb 2012, at 00:09, yaohua tan wrote:

> Hello all.
> I am trying to use Wannier90/ABINIT interface.
> I calculate band structures with spin orbit coupling using ABINIT and run wannier90 in library mode.
> But I always found the following log in the output file. 
> 
> Ignoring <spinors> in input file

I realise that is not a very clear statement to put in the output file. Let me try to explain:

 If you are running in standalone mode then you need to tell W90 if you have spinors by setting the spinor flag in the win file.
 If you are running in library mode then the calling program tells wannier90 that you have spinors. So the flag in the win file is ignored - and hence the warning message.

 So you should have no problems generating spinor wannier functions in library mode. I haven't used the Abinit interface - but I've generated spinor WF using PWSCF/W90 and several groups have published calculations using Fluer or Wien2k and W90.

Jonathan







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