[Wien] Slow convergence of charge

[Lyudmila Dobysheva]

On 16.12.2014 13:51, Shafqat Hussain Shah wrote:
> In my case when I am using
> MSR1a from the start I have following first and last twenty iterations

And again: why you are using MSR1a from the start? This is wrong. Your 
atoms are moved in the first iterations to an absolutely wrong 
positions, and then very slow return to correct ones.

Best regards
   Lyudmila Dobysheva
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