[gpaw-users] Convergence

[Samira Siahrostami]

To whom it may concern,

I am doing some calculations on TiO2 surface with just one OH adsorbed 
on the surface. The problem is it stops in the second cycle of iteration 
and after 50 hours. It does not converge at all. For your information, I 
am using the new set up for Ti too. I have attached the script and the 
output file.

I would be appreciated if you could give me a suggestion.

Best regards,

Samira
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