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Energy convergence requirements
Date: 2013/03/15 23:52
Name: Alfonso   <alfonso.sanchez@tyndall.ie>

Hello All,

I'm wondering what kind of convergence criteria are you using with OpenMX? Usually with planewave codes I go for around 5 meV/atom but I can't seem to get that much in OpenMX without using insanely demanding parameters (scf.energycutoff, basis sets, kpoints).

Any guidelines you could give me regarding your usage / experience would be appreciated.

Best,
Alfonso
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