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Any takers would be very welcome, I don't have any time at the moment to commit... So any help is much appreciated! :)
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@rezabma could you perhaps please give full details of the run where you did this? I.e. are you sure the convergence parameters are the same in flos/ase? In ase it is governed internally, whereas in flos
it is governed by siesta.
Anything that could help us figure out where the performance hit comes from would be appreciated.
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@rezabma Tanx ill look at it
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