[Wien] semicore

[Peter Blaha]

It happens again at the second volume ???  And you restarted from the 
beginning ??

Are your volume-steps sp large that the extrapolation does not work 
anymore ?

In the worst case, you have to activate   the    x dstart lines and 
comment the clmextrapol lines in optimize.job.


On 10/08/2014 11:35 AM, Mh Mi wrote:
>
> Dear Dr.Balaha
>
> Now,I used from reduce RMTs by 5% ,but that problem not fixed*.*
> *Ni,Co=2.17a.u. and Ga=2.12a.u.*
>
>
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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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