[Wien] Potential Delta-sol

2010-11-22 Thread Peter Blaha 
In principle, yes. But you have to apply your own correction for charged cells.

And in additon: I'd use the mBJ-potential. This is much less effort, more 
general
and accurate.

Am 19.11.2010 15:48, schrieb Amilcar Meneses Viveros:

 Hi there.

 For the potential (Delta-sol) in the reference

 Phys. Rev. Lett. 105, 196403
 (http://prl.aps.org/abstract/PRL/v105/i19/e196403)

 Is possible use this potential in Wien2k?

 Regards
 Amilcar


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   P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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[Wien] Potential Delta-sol

2010-11-19 Thread Amilcar Meneses Viveros 

Hi there.

For the potential (Delta-sol) in the reference

Phys. Rev. Lett. 105, 196403
(http://prl.aps.org/abstract/PRL/v105/i19/e196403)

Is possible use this potential in  Wien2k?

Regards
Amilcar