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Total Force in band structure calculation OUTCAR

Posted: Mon May 27, 2013 1:07 pm
by hosfa
Hi,
In Band structure calculation (ICHARGE=11) for a fully relaxed geometry, I find rather big forces in the OUTCAR file produced by the band structure run!
why?
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PBE, KPOINTS converged, I use the relaxed geometry for band structure!

Re: Total Force in band structure calculation OUTCAR

Posted: Thu Sep 12, 2024 8:22 am
by support_vasp

Hi,

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