[Wien] seclr4.f
Stefaan Cottenier
Stefaan.Cottenier at fys.kuleuven.be
Sat Nov 25 13:57:41 CET 2006
> Our calculation to check the Stefaans 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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