[Wien] seclr4.f

Stefaan Cottenier Stefaan.Cottenier at fys.kuleuven.be
Sat Nov 25 13:57:41 CET 2006


>   Our calculation to check the Stefaan’s suggestion is still   
> running, as we have increased the number of k-points from 16x16x1 to  
>  25x25x2. We will report the result as soon as our calculations are   
> finished.

Not much need for that. I did not realize you were using such a large  
mixing parameter and used in1new right from the start. These were  
definitely the source of your problems.

Stefaan


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